data_2mt5_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 2mt5 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.894 0.378 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.85 133.72 55.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -54.66 -179.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.99 -24.62 3.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 3.5 mt -81.32 -36.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -131.0 10.74 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 34.39 62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 2.4 ttm -121.61 156.6 32.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -73.03 125.47 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.1 m-85 -51.49 -21.32 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.34 23.24 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.27 -178.67 15.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 14' ' ' MET . 9.7 m -100.68 139.01 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' CYS . 84.2 m -38.28 154.05 0.14 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.867 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 14.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.75 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -122.74 165.48 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 46' ' ' ILE . 3.7 p -119.92 143.22 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 11.4 m-90 -105.68 166.92 10.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.99 175.98 16.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -41.08 -35.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.945 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -114.64 -176.33 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -44.54 -26.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -37.77 119.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -135.25 113.13 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.623 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.8 m-85 -128.53 159.31 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' MET . 9.2 m80 -68.71 124.81 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -36.61 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' MET . 5.7 m170 -36.35 -52.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.4 m -52.77 -80.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.681 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.6 tp -44.86 -55.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -41.79 -45.83 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.04 -36.08 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.631 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -97.74 -24.74 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.569 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.78 -10.7 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 -36.98 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.12 104.75 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.98 -32.62 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.75 -71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -104.81 135.05 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -27.2 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.2 m80 -45.49 132.94 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -33.05 147.9 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.78 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.53 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -127.25 -65.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 p -82.94 158.06 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -86.69 13.48 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -89.18 146.02 25.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' TRP . 1.6 tt0 -53.03 108.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.427 ' CE3' ' N ' ' A' ' 67' ' ' LYS . 5.1 t-105 -37.81 120.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -120.29 122.9 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.62 60.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 8.8 ttmt -53.95 158.19 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.57 131.9 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -53.04 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.12 -26.78 2.87 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.11 -39.32 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -127.82 11.72 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' CYS . 1.7 ttm -95.86 144.68 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.41 136.52 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 19.6 m-85 -60.66 -14.38 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.54 17.88 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.07 165.71 25.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -88.43 138.26 31.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.1 m -44.05 152.53 0.47 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.603 0.716 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.5 Cg_endo -69.74 170.97 15.32 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD11 ' CD1' ' A' ' 16' ' ' PHE . 1.1 pt? -102.57 -167.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 1.9 p -138.57 141.84 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 18.6 m-90 -105.3 154.16 20.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.44 174.81 16.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.68 -28.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -105.74 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 72.0 m -67.28 -8.08 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.744 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -61.94 130.19 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.65 115.48 14.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.744 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 3.7 m-85 -122.91 149.55 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' MET . 8.2 m80 -59.14 125.26 22.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.77 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -36.36 -52.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.9 m -53.61 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.691 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -44.18 -55.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -43.8 -43.45 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -36.84 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -56.58 -39.44 73.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -96.69 -26.89 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 82.9 t60 -77.59 -13.59 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.96 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.65 146.19 47.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.89 -11.53 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.79 -66.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -115.4 142.37 46.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.477 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -114.17 -21.43 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.7 m80 -38.82 130.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.497 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -34.39 150.41 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.636 0.731 . . . . 0.0 110.847 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 -32.03 19.45 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -102.19 -60.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 12.7 p -83.73 171.01 13.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -92.82 -23.69 18.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.32 138.57 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -49.29 114.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.477 ' N ' HE22 ' A' ' 57' ' ' GLN . 5.0 t-105 -44.27 121.2 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.7 mmmm -121.1 124.6 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.3 56.94 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.48 148.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.56 125.77 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -42.45 164.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 -9.33 24.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mt -83.94 -51.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 p -127.55 4.01 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 54.75 50.01 16.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 19' ' ' CYS . 8.1 ttm -101.73 152.75 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.34 126.76 31.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.2 m-85 -51.39 -21.85 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -92.13 25.2 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 178.05 18.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' CYS . 26.4 p -100.51 141.39 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' CYS . 93.3 m -38.09 154.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.539 0.685 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 170.96 15.5 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -113.55 164.74 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' CG1' HG23 ' A' ' 46' ' ' ILE . 6.9 p -118.32 142.62 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.545 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-90 -108.52 158.15 17.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.79 172.76 14.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.575 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -37.43 -35.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 p -109.04 -179.9 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 t -49.4 -23.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.7 t-80 -37.82 119.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -127.3 114.78 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -133.61 145.03 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 45' ' ' CYS . 24.4 m80 -59.26 131.63 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.31 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -38.56 -55.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 41.7 m -44.25 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.686 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.5 tp -49.63 -54.67 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.487 HD22 ' CE ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.51 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.487 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.98 -36.84 75.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.686 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.57 -36.16 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.62 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -101.29 -24.64 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 84.3 t60 -81.4 -10.0 59.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -115.96 -63.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -45.61 122.85 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 52' ' ' ALA . 1.8 mp0 -78.86 -3.87 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.24 178.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -49.15 164.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.475 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -87.72 -18.53 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.8 m80 -38.06 133.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 1.1 m -35.46 153.27 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.641 0.734 . . . . 0.0 110.824 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.74 -7.05 20.05 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.3 mtm -134.01 -73.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 2.5 p -63.32 161.95 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -89.07 -3.18 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -73.93 138.28 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 8.1 tt0 -51.79 111.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.514 ' CD1' HD23 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.33 119.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -118.58 123.75 45.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -74.44 60.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 ttmm -50.48 155.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.55 135.84 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.522 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 7.9 t -44.54 166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.43 -6.1 25.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.66 -45.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 p -136.39 15.91 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 42.44 54.3 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.499 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 2.8 tpp -97.48 135.79 38.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -67.29 124.68 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 22.3 m-85 -55.88 -19.63 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.45 14.23 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.51 -160.49 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 14' ' ' MET . 16.6 p -110.71 170.9 7.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.8 m -77.27 143.91 70.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.286 . . . . 0.0 112.319 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.8 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.8 Cg_endo -69.7 -173.73 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD11 ' CZ3' ' A' ' 34' ' ' TRP . 3.5 pp -120.6 166.98 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 46' ' ' ILE . 8.6 p -110.2 152.75 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.551 ' CZ3' HD11 ' A' ' 32' ' ' LEU . 19.7 m-90 -115.03 150.62 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -105.45 172.68 19.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -38.18 -34.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 p -109.12 178.81 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -49.35 -25.28 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -38.15 114.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.52 121.43 38.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -139.98 143.92 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 4.9 m80 -55.99 125.43 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -37.58 -65.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -49.98 -50.34 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.75 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.8 tp -50.05 -54.13 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -43.09 -43.1 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -36.23 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.98 -38.03 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.628 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -98.58 -25.45 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t60 -80.51 -11.87 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.34 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -130.78 172.64 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.23 15.43 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 m -58.19 -178.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -42.06 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -19.3 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' CYS . 49.0 m80 -41.7 131.17 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -32.8 145.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.8 Cg_endo -69.63 -25.94 28.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 ttm -104.36 -69.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.94 -172.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -119.38 15.41 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -96.04 153.88 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -55.69 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.8 t-105 -37.92 120.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.42 127.14 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.81 60.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -49.42 148.65 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 38.9 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.52 131.61 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 4.4 t -45.25 170.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.9 -16.17 6.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.3 -43.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 p -136.78 9.86 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 46.36 57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.3 tpp -105.13 135.31 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.91 122.05 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 25.9 m-85 -50.43 -23.84 2.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -89.91 25.06 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.2 -175.73 21.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.73 162.05 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.546 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 80.0 m -84.41 143.77 42.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.788 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 42.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 172.41 12.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -112.01 169.29 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG1' HG21 ' A' ' 46' ' ' ILE . 12.0 p -125.0 149.26 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 11.7 m-90 -112.77 152.43 29.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.76 165.84 13.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.74 -28.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.69 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 4.2 m -65.02 -8.99 18.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 1.8 t-80 -61.11 124.83 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.8 m -126.34 128.04 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 5.9 m-85 -142.74 146.97 34.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 6.6 m80 -59.43 127.8 33.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.06 -69.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 5.0 m170 -48.61 -51.44 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.1 m -49.22 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.694 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -50.9 -54.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -40.92 -46.42 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.66 -36.14 73.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.694 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.37 -35.99 68.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.633 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -100.32 -24.79 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.15 -9.73 59.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.23 172.61 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -113.25 -0.27 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -38.53 -62.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 2.2 pm0 -142.7 126.28 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 72.6 m80 -49.19 179.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.73 160.38 82.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.616 2.211 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -58.77 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.7 p -76.59 179.3 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.37 -32.52 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -38.29 138.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.5 pt-20 -55.1 107.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.47 ' CD1' HD21 ' A' ' 50' ' ' LEU . 5.7 t-105 -37.76 122.95 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.49 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 11.4 tppt? -126.52 124.68 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.56 60.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 30.7 ttpt -38.21 139.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.02 127.18 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.569 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 1.4 t -49.79 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.84 -20.69 5.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.9 -47.79 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ARG . 24.5 p -132.74 20.87 4.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.04 47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -103.8 132.81 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 127.23 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m-85 -48.41 -24.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -92.6 26.83 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.07 155.53 22.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.46 -169.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 158.58 38.43 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.629 0.728 . . . . 0.0 110.806 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.343 0.237 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 46.6 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.617 0.722 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.2 Cg_endo -69.64 173.32 11.04 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -104.88 162.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 46' ' ' ILE . 7.5 p -117.93 150.57 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.8 m-90 -113.89 154.76 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.21 171.6 19.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.566 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -40.26 -36.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -108.48 177.64 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' HIS . 69.7 m -42.75 -27.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.51 119.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -127.17 118.86 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.7 m-85 -137.86 144.85 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' MET . 12.3 m80 -61.33 128.29 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.21 -62.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -50.49 -51.99 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.6 m -52.62 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.701 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.7 tp -49.02 -54.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -41.34 -45.99 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.67 -36.71 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.701 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.03 -36.83 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.656 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -100.07 -25.96 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t60 -78.68 -12.15 60.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.15 -53.55 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.7 177.96 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -139.73 16.37 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -47.27 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -106.01 108.91 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -25.92 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.0 m80 -39.05 125.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.1 t -34.59 143.54 0.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.604 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.69 -43.08 2.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.38 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 63.1 mmm -74.84 -81.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.5 p -77.38 178.92 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -102.58 11.81 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -87.27 138.93 31.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -38.15 114.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.452 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -43.06 120.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 12.8 tppt? -120.87 126.13 49.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.61 60.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 4.8 tptm -54.46 145.42 18.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.599 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 137.76 41.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 8.9 t -52.54 165.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.85 -9.95 31.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.02 -53.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ARG . 21.3 p -132.75 25.36 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.86 50.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.6 tpt -95.2 132.98 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 132.26 48.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 7' ' ' GLU . 19.3 m-85 -62.62 -13.17 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -86.44 14.84 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.18 173.0 29.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 p -83.85 166.85 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.82 142.86 94.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.596 0.713 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 16' ' ' PHE . 3.2 pp -121.95 174.48 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 46' ' ' ILE . 8.6 p -120.33 147.17 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.551 ' CH2' HD13 ' A' ' 32' ' ' LEU . 23.1 m-90 -109.43 158.33 18.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.19 169.58 13.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.19 -31.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 -179.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 7.2 p -112.86 179.45 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.9 p -47.67 -24.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.3 t-80 -39.28 113.08 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.89 117.87 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 11.1 m-85 -138.91 142.11 38.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' MET . 19.5 m80 -57.94 128.73 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.58 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -49.97 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.682 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.1 tp -46.56 -54.76 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -43.64 -41.89 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -35.18 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.682 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.07 -36.61 75.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.621 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -99.28 -25.3 14.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 85.6 t60 -82.95 -10.75 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.29 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.5 158.28 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -84.72 6.58 23.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.401 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -56.87 -177.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -39.55 120.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -72.7 -3.94 28.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 49.6 m80 -46.06 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.49 159.54 85.22 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 -28.43 25.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.759 2.306 . . . . 0.0 112.322 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.88 -73.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 p -59.55 170.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -93.3 -21.19 19.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -54.69 137.28 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' TRP . 2.6 tt0 -53.66 110.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.489 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -37.54 119.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 tppt? -119.05 125.56 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.67 60.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 17.2 tptt -41.13 156.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -131.61 150.98 51.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.9 t -57.58 170.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.4 -8.93 24.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.2 mt -102.95 -31.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' ARG . 75.6 m -133.37 6.31 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.69 63.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.489 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 12.7 mmm -107.39 -171.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.79 118.85 36.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.533 ' CD1' HD23 ' A' ' 32' ' ' LEU . 23.2 m-85 -51.22 -21.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -93.18 22.48 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.0 -142.2 3.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 p -125.5 -162.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.14 151.35 43.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.678 0.752 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.2 14.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.293 . . . . 0.0 112.282 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.637 ' CD1' ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -112.99 171.93 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 ' CA ' ' A' ' 43' ' ' MET . 3.4 t -115.14 141.02 33.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.637 ' CZ2' ' CD1' ' A' ' 32' ' ' LEU . 23.0 m-90 -108.18 155.0 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -109.47 170.88 14.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.471 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -37.91 -32.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -113.04 -174.88 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 p -48.89 -23.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.7 122.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -138.07 113.54 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -132.0 152.09 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 14' ' ' MET . 2.0 m80 -63.62 127.73 32.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.473 ' CA ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.72 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' MET . 17.0 m80 -32.6 -52.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.84 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.1 tp -46.3 -55.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -42.03 -43.59 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.04 -33.29 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.684 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.27 -36.0 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.623 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -101.58 -26.28 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t60 -83.79 -8.81 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -121.37 -62.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -64.81 123.75 20.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -85.85 1.52 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.99 174.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -40.54 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.457 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -50.52 -21.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' CYS . 70.1 m80 -40.54 138.83 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' HIS . 11.4 t -33.01 134.36 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.673 0.749 . . . . 0.0 110.807 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.68 -3.16 11.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.616 2.211 . . . . 0.0 112.402 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.6 mtm -127.36 -53.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -81.77 -173.82 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -119.52 13.13 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -104.39 157.59 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -49.53 118.74 2.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.472 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -46.86 118.58 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 2.1 tppp? -115.93 122.96 46.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -74.69 60.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -56.79 153.39 10.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 51.9 mt-10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 129.16 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -43.72 167.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.94 -15.67 9.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD13 ' CE2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -78.61 -50.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.19 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' HG21 ' A' ' 11' ' ' ILE . 9.1 p -131.12 10.71 4.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 46.55 56.58 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.7 tpp -104.3 134.71 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.19 126.09 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 12.6 m-30 -54.3 -19.04 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.56 6.36 15.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.38 177.99 21.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.08 -172.4 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.57 151.6 82.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.559 0.695 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.3 Cg_endo -69.76 171.33 14.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.589 2.193 . . . . 0.0 112.3 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . 3.2 pp -102.29 171.72 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 46' ' ' ILE . 9.9 p -116.33 150.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.497 ' CZ3' ' O ' ' A' ' 32' ' ' LEU . 11.1 m-90 -112.74 151.62 30.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.39 165.01 14.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' N ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -40.77 -28.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.28 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 1.9 t -64.36 -9.89 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -60.33 121.45 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 3.4 m -122.35 125.86 46.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.672 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 5.2 m-85 -139.27 151.51 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' MET . 8.1 m80 -65.76 127.37 31.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -35.56 -64.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -52.52 -50.95 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 m -50.34 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.708 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -51.57 -54.28 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -39.23 -47.27 1.63 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.43 71.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.708 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -56.11 -33.29 64.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -103.82 -24.05 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.39 -8.66 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -42.3 165.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 -22.89 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 m -58.45 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.96 156.28 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.629 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -72.67 -14.56 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 44.2 m80 -38.47 136.43 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.4 m -37.03 156.34 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -26.08 27.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 mtm -117.31 -58.21 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 m -67.52 175.26 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -3.59 19.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -78.54 151.92 32.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' TRP . 52.7 mt-10 -57.04 108.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.629 ' N ' HE22 ' A' ' 57' ' ' GLN . 5.9 t-105 -37.77 123.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -125.64 131.25 52.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.405 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 1.5 m-85 -74.54 60.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 9.5 tptt -57.06 154.76 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.9 129.57 56.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 13.3 t -42.23 164.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.89 -14.47 22.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mt -77.81 -54.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.735 0.303 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 13' ' ' ARG . 19.6 p -132.94 31.33 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 29.83 50.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -97.03 132.64 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.18 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.8 m-85 -47.38 -24.33 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -89.76 24.49 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.51 -167.57 11.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.17 155.01 26.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -53.71 143.27 39.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.72 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.282 . . . . 0.0 112.36 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 42.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.646 0.736 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.73 171.9 13.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -115.46 169.62 9.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 2.8 t -126.74 151.28 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.539 ' CZ2' HD23 ' A' ' 32' ' ' LEU . 14.7 m-90 -113.89 159.76 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -113.04 176.63 17.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.4 -29.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.916 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLY . 21.2 p -117.55 -175.84 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.9 m -50.72 -24.76 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -38.18 114.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -124.54 117.97 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.636 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.4 m-85 -134.29 141.35 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' MET . 26.0 m80 -55.22 130.85 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.468 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -36.93 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -40.35 -55.01 2.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.3 m -45.84 -80.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -47.55 -54.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -43.26 -42.57 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.92 -37.7 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.6 -38.26 71.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.616 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -97.48 -24.22 15.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 2.3 t60 -81.86 -10.86 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 -40.63 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -67.22 145.87 54.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.13 13.34 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -50.57 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.01 147.31 41.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -26.23 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.8 m80 -38.44 137.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -30.94 145.77 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.75 . . . . 0.0 110.836 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.73 -2.79 10.74 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 0.0 112.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.45 -23.77 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 64.63 10.62 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -97.33 -175.63 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -65.11 90.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.522 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -37.44 118.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.522 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -117.15 126.5 52.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.65 60.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 5.5 tptt -49.9 149.04 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.41 120.56 39.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 2.9 t -46.48 173.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.36 -3.97 35.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mt -106.9 -27.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.95 4.16 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 42.79 29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -100.31 138.86 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -60.86 141.15 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 43.8 m-85 -65.05 -16.21 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -13.93 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.35 -152.69 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' CYS . 15.5 p -126.62 168.23 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -36.18 137.45 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.891 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.4 Cg_endo -69.75 -167.7 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' CZ3' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -127.78 159.49 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -116.4 154.51 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.556 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 9.3 m-90 -113.3 161.49 17.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.24 171.76 14.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.54 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.685 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.04 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' GLY . 8.2 p -114.9 174.32 6.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' HIS . 41.7 t -43.64 -26.6 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 5.7 t-80 -37.94 121.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -126.1 132.4 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 10.5 m-85 -149.81 147.97 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' MET . 9.7 m80 -68.35 133.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.94 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.4 m170 -37.77 -53.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -48.86 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.707 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.1 tp -48.04 -55.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.02 -45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -36.74 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.707 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -102.78 -23.95 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.8 t60 -82.04 -10.28 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.9 -58.58 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -112.62 156.86 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -114.94 -23.03 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.56 -44.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.7 122.07 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.75 -23.92 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' CYS . 46.7 m80 -40.64 143.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -35.25 150.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -45.78 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.8 mmm -92.52 -40.66 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.48 179.01 5.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 5.29 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -82.42 -178.13 6.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.98 102.42 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -37.9 119.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.57 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -116.05 126.51 53.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 60.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 tppp? -62.14 157.71 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 40.4 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.69 139.6 46.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -176.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.01 -29.39 1.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.33 -40.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.32 9.04 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 35.73 58.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -119.87 128.97 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.41 128.29 9.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 32' ' ' LEU . 22.9 m-85 -54.31 -19.44 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.93 17.46 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 165.14 24.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.74 173.27 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.16 152.64 76.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 171.04 15.27 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -111.0 176.82 4.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' HG21 ' A' ' 46' ' ' ILE . 4.7 p -120.79 144.28 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.555 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -107.18 155.92 19.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.4 -175.78 21.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.556 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -49.23 -32.33 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.25 179.57 3.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -44.88 -25.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.4 t-80 -39.82 121.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.555 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -133.84 116.42 15.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -131.28 152.01 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' CYS . 8.7 m80 -62.32 127.7 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.98 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.6 m80 -35.5 -52.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 27.2 m -51.84 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -47.03 -55.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 HD22 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.6 -48.47 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.71 -37.58 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -54.8 -36.84 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.635 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -99.44 -25.16 14.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.1 t60 -79.8 -10.88 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.75 -59.01 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -81.23 105.86 12.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.493 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -89.84 -21.36 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.17 -46.23 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.36 142.92 35.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -29.65 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.1 m80 -40.79 135.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -34.88 143.32 0.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.5 Cg_endo -69.71 -19.17 36.69 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.411 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 16.6 mmm -104.01 -50.97 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.5 p -107.03 -176.14 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -96.76 -26.27 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.87 112.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.434 ' CE3' ' N ' ' A' ' 67' ' ' LYS . 4.9 t-105 -40.04 120.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.434 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -119.45 122.99 42.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -74.57 60.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 tppp? -54.98 152.86 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.939 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.956 0.408 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.01 134.14 49.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -43.15 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.04 -12.66 13.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -94.69 -34.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 14' ' ' MET . 3.2 m -138.71 19.26 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 36.13 32.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' CYS . 3.0 tpp -88.05 130.21 35.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -55.18 119.85 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.4 m-85 -47.04 -25.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.97 30.54 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.8 173.65 26.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -79.23 157.7 27.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.4 m -83.74 155.16 65.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.3 . . . . 0.0 112.263 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 34.5 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.3 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -99.83 179.5 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 22.2 t -138.16 140.64 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.0 m-90 -107.64 166.81 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -125.05 164.18 18.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.512 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.44 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.3 p -109.75 178.56 4.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.4 t -47.77 -25.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.646 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-160 -44.88 139.06 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.594 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 p -161.18 116.1 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 22.6 m-85 -134.21 165.45 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.418 ' NE2' ' HG3' ' A' ' 14' ' ' MET . 44.0 m80 -64.49 132.77 50.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.87 -62.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -54.54 -52.37 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.8 m -46.78 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 8.2 tp -54.49 -53.1 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -42.2 -51.41 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.67 -42.26 98.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -50.24 -43.31 52.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.634 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -92.3 -23.93 19.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.7 OUTLIER -81.75 -6.26 58.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.81 -66.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.14 136.9 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -118.96 37.24 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -44.25 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.96 138.33 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -24.97 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 78.5 m80 -48.0 129.83 14.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' HIS . 24.4 p -35.6 153.15 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.552 0.691 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.519 ' SD ' ' CZ ' ' A' ' 41' ' ' PHE . 9.9 mtp -63.16 -66.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -91.98 -172.54 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -111.15 12.15 21.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.74 153.19 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 15.2 pt-20 -53.31 106.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.475 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.6 t-105 -38.15 119.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.1 mmmm -117.87 123.5 46.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -75.45 55.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 156.87 20.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 144.2 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -56.63 179.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.62 -29.97 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 mt -88.28 -26.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.081 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 13' ' ' ARG . 80.5 m -132.49 5.58 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 5.4 ppt_? 32.91 37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.1 mtp -85.45 -175.74 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 120.28 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 23.5 m-85 -50.68 -21.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -87.42 16.97 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.87 -154.83 7.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' O ' ' CE ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -115.22 -174.7 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.856 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -81.09 155.28 72.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.59 2.193 . . . . 0.0 112.334 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.651 0.738 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.1 Cg_endo -69.78 -166.03 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -122.48 176.55 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 46' ' ' ILE . 15.0 p -123.65 144.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.564 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 10.7 m-90 -108.41 156.59 19.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.37 174.27 17.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.12 -32.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.59 -178.55 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -47.51 -24.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -38.14 116.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -128.65 113.52 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.902 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.667 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -133.61 138.97 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 3.8 m80 -54.7 128.57 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.38 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 43' ' ' MET . 10.1 m80 -33.35 -52.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.68 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 tp -47.5 -55.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.39 -48.7 1.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.02 -38.54 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -53.68 -39.17 64.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -96.16 -25.65 15.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -78.48 -11.35 59.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -49.77 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 2.2 mm100 -71.78 176.93 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -25.65 7.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -66.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -38.08 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -114.67 -29.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' CYS . 53.4 m80 -42.61 132.28 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -33.89 148.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.71 -9.14 25.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.539 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -128.22 -66.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 4.4 p -75.27 160.47 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -15.0 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.4 ' NE2' ' HB2' ' A' ' 62' ' ' CYS . 3.3 mp0 -60.82 148.92 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.0 pt-20 -61.04 112.49 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.426 ' CE3' ' N ' ' A' ' 67' ' ' LYS . 5.0 t-105 -37.9 120.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 124.53 44.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.64 60.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' GLU . 5.9 tptm -54.91 145.24 20.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' LYS . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.79 0.328 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -125.5 141.12 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 1.9 t -46.0 172.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.509 ' N ' ' CE1' ' A' ' 41' ' ' PHE . . . -117.76 -21.87 4.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.544 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -86.23 -32.06 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -141.52 13.05 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 68.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.2 tpp -117.93 131.7 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.63 120.06 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' CG ' HD21 ' A' ' 32' ' ' LEU . 12.2 m-30 -50.43 -22.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -90.03 21.55 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.96 -139.89 4.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -138.99 174.9 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.48 147.13 55.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 170.56 16.28 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.702 ' CD1' ' CH2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -110.7 -175.1 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 15.3 t -137.5 140.31 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.702 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 16.3 m-90 -104.25 157.91 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.78 177.56 18.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -28.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 62' ' ' CYS . 28.8 p -118.69 -171.94 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' HIS . 68.4 m -49.37 -33.19 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.648 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-80 -37.83 125.84 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 34' ' ' TRP . 52.6 t -148.63 115.8 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 21.4 m-85 -127.39 159.65 33.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 12.0 m80 -59.61 129.89 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.464 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.51 -64.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -52.56 -51.93 57.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 m -47.75 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.9 tp -53.86 -54.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD22 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -40.14 -49.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -38.65 86.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -54.18 -39.73 66.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -96.74 -22.89 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.9 OUTLIER -83.01 -8.85 59.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -57.02 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' CB ' HG23 ' A' ' 55' ' ' VAL . 19.0 mp0 -125.16 147.89 48.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -80.0 4.25 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -54.59 -177.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -41.16 103.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.55 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -62.63 -12.61 24.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 68.3 m80 -38.3 134.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -35.69 153.05 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.76 -6.92 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.278 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.2 ptm -149.07 -56.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -39.57 -29.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' MET . 0.3 OUTLIER 70.06 6.84 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -107.69 -177.53 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' TRP . 14.3 mt-10 -66.22 95.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.55 ' N ' HE22 ' A' ' 57' ' ' GLN . 4.4 t-105 -37.87 119.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -117.49 125.38 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -74.68 60.38 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 144.0 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.9 125.06 53.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 5.7 t -44.06 168.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.76 -6.73 30.3 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.8 mt -99.01 -33.89 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 14.4 m -136.23 22.48 3.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.6 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -84.16 139.12 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.26 126.39 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 16.8 m-85 -51.16 -21.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.23 -15.08 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.83 -142.84 5.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -130.65 175.12 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 m -41.94 156.18 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 52.7 Cg_endo -69.89 177.24 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.288 . . . . 0.0 112.285 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' CD1' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -111.56 -176.11 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG1' HG22 ' A' ' 46' ' ' ILE . 7.3 p -126.87 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.589 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 26.8 m-90 -112.69 153.25 27.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -108.94 176.47 19.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.7 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 27.4 p -112.26 -176.63 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' HIS . 10.7 p -52.55 -20.36 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t-80 -37.34 124.77 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 53.7 t -134.63 103.15 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 6.1 m-85 -124.04 146.33 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' MET . 7.2 m80 -58.32 123.15 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -37.88 -64.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -45.81 -52.58 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.2 m -55.32 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -44.37 -54.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -44.37 -46.31 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -36.95 82.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -57.1 -43.01 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 tp -91.12 -23.37 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -82.09 -12.17 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 -33.33 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 24.9 mp0 -114.95 174.5 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 12.6 mm-40 -136.3 -41.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.06 -54.65 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -97.21 116.21 28.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -30.66 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.2 m80 -39.57 132.4 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -31.3 144.4 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -61.21 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.4 m -66.96 -177.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -115.16 -1.91 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -87.73 148.05 24.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -50.31 114.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.475 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.4 t-105 -37.84 121.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 7.5 tppt? -121.97 121.08 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.7 m-85 -74.56 60.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.05 156.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 pt-20 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 129.69 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -41.75 164.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.69 -10.0 29.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mt -87.21 -48.06 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.8 p -135.34 29.4 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.81 38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.541 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 8.0 tpp -81.22 138.73 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 124.31 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 7' ' ' GLU . 29.9 m-85 -58.57 -17.16 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.34 -1.7 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.72 -152.6 8.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.2 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.7 m -38.84 149.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.1 Cg_endo -69.79 172.51 12.53 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CZ3' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -98.64 160.47 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.49 144.5 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 14.6 m-90 -107.53 157.57 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.88 172.96 14.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -36.7 -33.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.913 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.7 p -112.55 179.25 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -48.65 -23.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.98 115.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.535 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -122.18 116.7 24.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.693 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.9 m-85 -137.08 144.35 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 3.2 m80 -57.41 127.93 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -35.79 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -47.96 -55.35 10.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.3 m -43.39 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.699 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.6 tp -51.89 -54.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -38.91 -44.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -71.87 -43.05 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.699 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -50.23 -31.31 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -105.63 -25.04 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.5 t60 -82.79 -3.84 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.11 -27.03 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.35 138.89 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.681 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -100.48 -21.47 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -43.01 -47.02 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 25.1 mp0 -126.45 120.52 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -27.4 11.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.6 m80 -41.5 136.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -36.28 152.08 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.1 Cg_endo -69.89 -34.01 15.0 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.7 ptp -109.93 -58.98 1.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.25 171.07 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -111.34 29.3 7.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -116.45 156.76 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 23.3 mt-10 -54.37 105.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.556 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -37.59 119.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.556 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -115.24 125.1 52.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.3 56.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -43.62 133.24 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' LYS . 4.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.14 137.09 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 10.8 t -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.73 -9.02 36.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 2.6 mt -85.92 -53.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.1 p -132.85 28.29 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.46 40.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.44 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 4.4 tpp -84.73 136.92 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 125.16 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 25.1 m-85 -52.92 -22.39 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.47 22.41 2.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.66 -178.56 17.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.99 -178.82 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.5 m -84.2 141.93 40.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.584 0.707 . . . . 0.0 110.805 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.92 15.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD23 ' CZ2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -100.97 159.86 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 4.7 p -114.54 146.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' HD23 ' A' ' 32' ' ' LEU . 22.4 m-90 -111.34 155.04 23.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -109.88 173.31 16.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.597 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.08 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLY . 22.6 p -114.24 -178.5 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -50.72 -22.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -38.68 115.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -122.87 114.92 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -136.23 142.91 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' MET . 24.2 m80 -58.61 129.43 42.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.84 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -38.53 -55.45 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.41 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 52.8 m -46.01 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.2 tp -48.2 -55.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.542 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -38.71 -51.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.61 -40.76 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -51.99 -36.65 50.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -97.96 -20.23 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.961 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.542 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 7.8 m-70 -87.71 -5.44 58.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -114.32 145.84 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.455 ' NE2' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -79.7 4.2 16.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 56' ' ' GLN . 2.3 m -57.56 -157.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.46 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 38.2 mm-40 -51.8 112.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -71.81 -4.57 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.417 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 58.5 m80 -46.56 174.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 159.73 82.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.9 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -111.56 -43.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.82 150.78 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -18.39 39.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -63.26 139.29 58.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 4.4 tt0 -51.48 109.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.513 ' CD1' HD23 ' A' ' 50' ' ' LEU . 5.5 t-105 -37.36 122.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.41 124.21 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -74.65 60.14 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -38.48 149.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.903 0.382 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.75 142.55 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.0 t -50.8 173.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 -22.34 6.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 3.7 mt -74.02 -46.23 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' MET . 21.2 p -140.65 29.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 4.5 ppt_? 33.72 35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.9 tpp -77.4 140.14 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.67 124.8 25.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.588 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 26.0 m-85 -54.09 -22.94 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -94.06 27.49 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.51 -167.62 11.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.86 -157.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -122.6 164.37 27.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.433 ' CB ' ' SG ' ' A' ' 20' ' ' CYS . 15.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.624 0.726 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -165.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -138.16 163.9 30.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 46' ' ' ILE . 8.4 p -116.04 145.52 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.564 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 19.0 m-90 -109.7 153.75 23.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.1 179.64 23.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.632 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -45.19 -30.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -115.14 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 p -45.83 -26.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -37.96 112.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -119.73 120.59 37.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.3 m-85 -139.67 139.58 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.429 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 22.3 m80 -54.1 129.94 36.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.55 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -40.95 -54.44 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 49.1 m -46.63 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.693 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -48.69 -55.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.42 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.8 -37.73 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.16 -37.72 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -98.27 -24.58 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -80.86 -10.53 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.92 -10.17 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -122.76 127.07 48.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -108.63 24.6 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.31 -72.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.84 132.32 38.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -26.84 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.0 m80 -41.72 132.82 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.3 m -34.25 147.06 0.13 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.79 -34.39 14.58 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.86 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -72.7 -174.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -120.07 27.93 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -107.69 155.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -55.14 106.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.509 ' CD1' HD21 ' A' ' 50' ' ' LEU . 5.1 t-105 -39.08 121.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -124.56 128.62 49.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.5 60.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -45.96 150.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.801 0.334 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.15 121.6 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -51.0 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.0 -17.79 4.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 -37.51 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.21 12.97 6.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mmt180 38.24 35.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 5.4 tpp -97.66 137.58 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -59.41 126.55 28.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.588 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 24.4 m-85 -47.86 -28.23 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.75 32.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.64 157.28 26.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -54.07 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -120.54 143.02 35.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 171.37 14.65 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -106.89 163.32 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 46' ' ' ILE . 5.7 p -115.24 143.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 13.0 m-90 -107.93 157.37 18.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 170.31 14.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.489 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -40.63 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' HIS . 20.1 p -110.85 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -39.8 -29.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.2 t-80 -37.75 119.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -134.69 116.46 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.4 m-85 -133.48 157.29 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.402 ' O ' HG21 ' A' ' 46' ' ' ILE . 10.4 m80 -66.19 126.07 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.69 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 43' ' ' MET . 12.7 m170 -36.78 -53.31 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.1 m -51.1 -80.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -46.36 -55.43 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.696 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -52.59 -35.58 54.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.646 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -100.99 -23.01 14.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.56 -7.92 59.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.28 -68.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -89.41 167.06 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.71 17.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -51.16 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.32 98.83 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -29.92 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' CYS . 45.8 m80 -40.77 130.89 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -34.06 142.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.76 -26.67 27.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.62 2.213 . . . . 0.0 112.359 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.5 ttp -98.44 -65.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 26.0 p -81.36 -176.99 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.93 3.39 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -84.73 138.63 32.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 18.7 tt0 -39.08 110.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.508 ' CD1' HD23 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.94 120.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 3.9 tppp? -121.45 122.93 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.72 60.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 14.6 tptt -40.96 157.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.742 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.11 0 CA-C-O 120.583 -0.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -102.81 0.5 32.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.06 156.08 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.72 88.1 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -104.71 116.13 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.66 9.87 32.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.3 0.21 49.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.85 133.72 55.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -54.66 -179.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.99 -24.62 3.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 3.5 mt -81.32 -36.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -131.0 10.74 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 34.39 62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 2.4 ttm -121.61 156.6 32.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -73.03 125.47 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.1 m-85 -51.49 -21.32 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.34 23.24 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.27 -178.67 15.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 14' ' ' MET . 9.7 m -100.68 139.01 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 84.2 m -38.28 154.05 0.14 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -48.34 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -82.23 6.61 16.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 1.5 t -121.62 115.65 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 26.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.15 144.27 98.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.76 61.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -116.18 -70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -124.19 67.56 1.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 14.4 m -148.14 48.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.75 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -122.74 165.48 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 46' ' ' ILE . 3.7 p -119.92 143.22 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 11.4 m-90 -105.68 166.92 10.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.99 175.98 16.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -41.08 -35.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.945 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -114.64 -176.33 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -44.54 -26.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -37.77 119.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -135.25 113.13 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.623 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.8 m-85 -128.53 159.31 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' MET . 9.2 m80 -68.71 124.81 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -36.61 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' MET . 5.7 m170 -36.35 -52.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.4 m -52.77 -80.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.681 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.6 tp -44.86 -55.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -41.79 -45.83 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.04 -36.08 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.631 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -97.74 -24.74 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.569 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.78 -10.7 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 -36.98 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.12 104.75 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.98 -32.62 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.75 -71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -104.81 135.05 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -27.2 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.2 m80 -45.49 132.94 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -33.05 147.9 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.78 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.53 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -127.25 -65.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 p -82.94 158.06 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -86.69 13.48 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -89.18 146.02 25.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' TRP . 1.6 tt0 -53.03 108.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.427 ' CE3' ' N ' ' A' ' 67' ' ' LYS . 5.1 t-105 -37.81 120.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -120.29 122.9 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.62 60.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 8.8 ttmt -53.95 158.19 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.734 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.141 0 CA-C-O 120.64 0.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -98.91 13.74 31.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.017 0.436 . . . . 0.0 110.824 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -104.61 124.92 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.06 150.52 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -136.42 120.35 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.09 3.59 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.35 14.88 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.57 131.9 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -53.04 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.12 -26.78 2.87 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.11 -39.32 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -127.82 11.72 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' CYS . 1.7 ttm -95.86 144.68 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.41 136.52 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.58 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 19.6 m-85 -60.66 -14.38 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.54 17.88 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.07 165.71 25.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -88.43 138.26 31.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 13.1 m -44.05 152.53 0.47 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.603 0.716 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -77.24 0.98 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 43.6 t -97.79 110.03 22.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 26' ' ' PRO . 3.9 ptmt -58.91 -15.47 12.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p 40.65 82.72 0.22 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.542 0.686 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 53.3 Cg_endo -69.86 -3.12 11.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.01 -136.82 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -120.07 -0.29 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.86 97.4 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.4 m -156.43 50.77 0.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.5 Cg_endo -69.74 170.97 15.32 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD11 ' CD1' ' A' ' 16' ' ' PHE . 1.1 pt? -102.57 -167.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 1.9 p -138.57 141.84 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 18.6 m-90 -105.3 154.16 20.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.44 174.81 16.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.68 -28.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -105.74 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 72.0 m -67.28 -8.08 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.744 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -61.94 130.19 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.65 115.48 14.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.744 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 3.7 m-85 -122.91 149.55 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' MET . 8.2 m80 -59.14 125.26 22.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.77 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -36.36 -52.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.9 m -53.61 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.691 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -44.18 -55.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -43.8 -43.45 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -36.84 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -56.58 -39.44 73.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -96.69 -26.89 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 82.9 t60 -77.59 -13.59 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.96 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.65 146.19 47.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.89 -11.53 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.79 -66.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -115.4 142.37 46.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.477 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -114.17 -21.43 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.7 m80 -38.82 130.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.497 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -34.39 150.41 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.636 0.731 . . . . 0.0 110.847 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 -32.03 19.45 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -102.19 -60.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 12.7 p -83.73 171.01 13.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -92.82 -23.69 18.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.32 138.57 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -49.29 114.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.477 ' N ' HE22 ' A' ' 57' ' ' GLN . 5.0 t-105 -44.27 121.2 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.7 mmmm -121.1 124.6 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.3 56.94 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.48 148.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.748 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.125 0 CA-C-O 120.628 0.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -84.52 135.91 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.93 159.06 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.71 149.17 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -75.21 167.29 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 40.89 28.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.73 -1.76 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.56 125.77 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -42.45 164.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 -9.33 24.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mt -83.94 -51.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 p -127.55 4.01 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 54.75 50.01 16.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 19' ' ' CYS . 8.1 ttm -101.73 152.75 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.34 126.76 31.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.2 m-85 -51.39 -21.85 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -92.13 25.2 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 178.05 18.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' CYS . 26.4 p -100.51 141.39 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 93.3 m -38.09 154.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -48.38 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -79.48 2.66 21.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.0 t -108.37 73.0 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' C ' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -72.79 110.05 6.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER -157.09 139.33 10.36 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.192 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 53.3 Cg_endo -69.65 -8.19 22.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.4 -166.97 31.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' CYS . 3.8 m-20 -119.61 -0.09 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -54.11 86.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 12.7 t 175.54 71.04 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.539 0.685 . . . . 0.0 110.811 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 170.96 15.5 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -113.55 164.74 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' CG1' HG23 ' A' ' 46' ' ' ILE . 6.9 p -118.32 142.62 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.545 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-90 -108.52 158.15 17.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.79 172.76 14.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.575 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -37.43 -35.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 p -109.04 -179.9 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 t -49.4 -23.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.7 t-80 -37.82 119.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -127.3 114.78 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -133.61 145.03 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 45' ' ' CYS . 24.4 m80 -59.26 131.63 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.31 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -38.56 -55.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 41.7 m -44.25 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.686 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.5 tp -49.63 -54.67 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.487 HD22 ' CE ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.51 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.98 -36.84 75.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.686 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.57 -36.16 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.62 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -101.29 -24.64 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 84.3 t60 -81.4 -10.0 59.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -115.96 -63.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -45.61 122.85 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 52' ' ' ALA . 1.8 mp0 -78.86 -3.87 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 t -72.24 178.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -49.15 164.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.475 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -87.72 -18.53 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.8 m80 -38.06 133.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 1.1 m -35.46 153.27 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.641 0.734 . . . . 0.0 110.824 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.74 -7.05 20.05 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.3 mtm -134.01 -73.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 2.5 p -63.32 161.95 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -89.07 -3.18 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -73.93 138.28 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 8.1 tt0 -51.79 111.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.514 ' CD1' HD23 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.33 119.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -118.58 123.75 45.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -74.44 60.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 ttmm -50.48 155.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.748 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.517 0.162 0 CA-C-O 120.668 0.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 44.54 47.94 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.6 p -130.49 145.49 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 122.17 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -100.08 115.8 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -104.55 1.25 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -91.1 37.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.55 135.84 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.522 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 7.9 t -44.54 166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.43 -6.1 25.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.66 -45.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 p -136.39 15.91 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 42.44 54.3 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.499 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 2.8 tpp -97.48 135.79 38.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -67.29 124.68 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 22.3 m-85 -55.88 -19.63 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.45 14.23 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.51 -160.49 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 14' ' ' MET . 16.6 p -110.71 170.9 7.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 70.8 m -77.27 143.91 70.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' ASP . 53.1 Cg_endo -69.79 -89.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.286 . . . . 0.0 112.319 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' PRO . 7.8 t0 -38.42 -34.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 17.5 t -50.09 133.32 23.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -77.36 0.76 21.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p 38.03 82.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.95 33.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.42 -138.73 2.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.451 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.2 -11.48 14.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -90.56 89.34 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.8 m -142.4 51.67 2.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.8 Cg_endo -69.7 -173.73 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD11 ' CZ3' ' A' ' 34' ' ' TRP . 3.5 pp -120.6 166.98 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 46' ' ' ILE . 8.6 p -110.2 152.75 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.551 ' CZ3' HD11 ' A' ' 32' ' ' LEU . 19.7 m-90 -115.03 150.62 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -105.45 172.68 19.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -38.18 -34.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 p -109.12 178.81 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -49.35 -25.28 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -38.15 114.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.52 121.43 38.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -139.98 143.92 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 4.9 m80 -55.99 125.43 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -37.58 -65.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -49.98 -50.34 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.75 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.8 tp -50.05 -54.13 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -43.09 -43.1 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -36.23 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.98 -38.03 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.628 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -98.58 -25.45 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t60 -80.51 -11.87 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.34 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -130.78 172.64 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.23 15.43 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 m -58.19 -178.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -42.06 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -19.3 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' CYS . 49.0 m80 -41.7 131.17 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -32.8 145.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.8 Cg_endo -69.63 -25.94 28.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 ttm -104.36 -69.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.94 -172.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -119.38 15.41 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -96.04 153.88 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -55.69 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.8 t-105 -37.92 120.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.42 127.14 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.81 60.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -49.42 148.65 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.742 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.094 0 CA-C-O 120.694 0.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -167.83 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 p -159.5 134.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.66 128.43 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.41 113.11 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.74 11.82 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 38.9 tt0 -84.51 9.71 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.52 131.61 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 4.4 t -45.25 170.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.9 -16.17 6.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.3 -43.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 p -136.78 9.86 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 46.36 57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.3 tpp -105.13 135.31 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.91 122.05 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 25.9 m-85 -50.43 -23.84 2.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -89.91 25.06 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.2 -175.73 21.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.73 162.05 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.546 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 80.0 m -84.41 143.77 42.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.788 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.39 -44.54 8.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -39.89 118.18 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' CE ' ' N ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -113.53 105.92 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' N ' ' CE ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -150.2 157.67 37.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 114.51 3.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.396 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.75 160.7 18.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ASP . 12.1 t0 -98.41 -33.15 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.793 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ASP . 49.8 t0 -38.09 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 42.1 t 38.94 81.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 172.41 12.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -112.01 169.29 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG1' HG21 ' A' ' 46' ' ' ILE . 12.0 p -125.0 149.26 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 11.7 m-90 -112.77 152.43 29.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.76 165.84 13.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.74 -28.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.69 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 4.2 m -65.02 -8.99 18.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 1.8 t-80 -61.11 124.83 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.8 m -126.34 128.04 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 5.9 m-85 -142.74 146.97 34.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 6.6 m80 -59.43 127.8 33.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.06 -69.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 5.0 m170 -48.61 -51.44 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.1 m -49.22 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.694 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -50.9 -54.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -40.92 -46.42 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.66 -36.14 73.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.694 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.37 -35.99 68.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.633 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -100.32 -24.79 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.15 -9.73 59.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.23 172.61 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -113.25 -0.27 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -38.53 -62.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 2.2 pm0 -142.7 126.28 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 72.6 m80 -49.19 179.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.73 160.38 82.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.616 2.211 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -58.77 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.7 p -76.59 179.3 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.37 -32.52 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -38.29 138.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.5 pt-20 -55.1 107.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.47 ' CD1' HD21 ' A' ' 50' ' ' LEU . 5.7 t-105 -37.76 122.95 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.49 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 11.4 tppt? -126.52 124.68 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.56 60.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 30.7 ttpt -38.21 139.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.746 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.515 0.067 0 CA-C-O 120.663 0.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 p -168.91 -177.41 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.901 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.9 132.44 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.25 -15.81 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.81 117.7 33.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.38 17.2 24.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -98.25 31.72 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.02 127.18 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.569 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 1.4 t -49.79 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.84 -20.69 5.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.9 -47.79 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ARG . 24.5 p -132.74 20.87 4.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.04 47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -103.8 132.81 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.58 127.23 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m-85 -48.41 -24.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -92.6 26.83 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.07 155.53 22.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.46 -169.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 158.58 38.43 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.629 0.728 . . . . 0.0 110.806 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -48.08 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.9 -2.24 32.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.53 165.65 13.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -116.46 -25.67 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 24' ' ' LYS . 1.5 p 168.86 83.34 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -42.63 3.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 -119.62 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.53 -11.55 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -96.01 59.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 46.6 t -164.4 52.75 0.31 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.617 0.722 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.2 Cg_endo -69.64 173.32 11.04 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -104.88 162.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 46' ' ' ILE . 7.5 p -117.93 150.57 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.8 m-90 -113.89 154.76 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.21 171.6 19.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.566 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -40.26 -36.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -108.48 177.64 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' HIS . 69.7 m -42.75 -27.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.51 119.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -127.17 118.86 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.7 m-85 -137.86 144.85 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' MET . 12.3 m80 -61.33 128.29 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.21 -62.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -50.49 -51.99 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.6 m -52.62 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.701 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.7 tp -49.02 -54.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -41.34 -45.99 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.67 -36.71 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.701 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.03 -36.83 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.656 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -100.07 -25.96 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t60 -78.68 -12.15 60.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.15 -53.55 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.7 177.96 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -139.73 16.37 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -47.27 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -106.01 108.91 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -25.92 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.0 m80 -39.05 125.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.1 t -34.59 143.54 0.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.604 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.69 -43.08 2.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.38 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 63.1 mmm -74.84 -81.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.5 p -77.38 178.92 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -102.58 11.81 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -87.27 138.93 31.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -38.15 114.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.452 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -43.06 120.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 12.8 tppt? -120.87 126.13 49.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.61 60.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 4.8 tptm -54.46 145.42 18.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.75 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.231 -0.093 0 CA-C-O 120.726 0.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -136.54 154.21 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 t -133.11 156.26 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.55 93.13 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -113.37 93.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -116.91 25.65 10.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.599 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -82.92 2.36 34.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 137.76 41.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 8.9 t -52.54 165.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.85 -9.95 31.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.02 -53.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ARG . 21.3 p -132.75 25.36 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.86 50.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.6 tpt -95.2 132.98 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 132.26 48.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 7' ' ' GLU . 19.3 m-85 -62.62 -13.17 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -86.44 14.84 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.18 173.0 29.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 p -83.85 166.85 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 71.7 m -61.82 142.86 94.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -89.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.41 -38.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 19.8 t -42.48 138.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -5.1 39.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 t 39.92 82.35 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.759 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.85 -151.99 6.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -108.12 -2.18 19.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.74 89.57 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.72 63.36 39.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.713 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 16' ' ' PHE . 3.2 pp -121.95 174.48 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 46' ' ' ILE . 8.6 p -120.33 147.17 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.551 ' CH2' HD13 ' A' ' 32' ' ' LEU . 23.1 m-90 -109.43 158.33 18.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.19 169.58 13.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.19 -31.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 -179.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 7.2 p -112.86 179.45 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.9 p -47.67 -24.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.3 t-80 -39.28 113.08 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.89 117.87 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 11.1 m-85 -138.91 142.11 38.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' MET . 19.5 m80 -57.94 128.73 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.58 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -49.97 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.682 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.1 tp -46.56 -54.76 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -43.64 -41.89 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -35.18 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.682 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.07 -36.61 75.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.621 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -99.28 -25.3 14.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 85.6 t60 -82.95 -10.75 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.29 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.5 158.28 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -84.72 6.58 23.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.401 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -56.87 -177.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -39.55 120.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -72.7 -3.94 28.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 49.6 m80 -46.06 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.49 159.54 85.22 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 -28.43 25.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.759 2.306 . . . . 0.0 112.322 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.88 -73.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 p -59.55 170.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -93.3 -21.19 19.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -54.69 137.28 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' TRP . 2.6 tt0 -53.66 110.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.489 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -37.54 119.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 tppt? -119.05 125.56 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.67 60.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 17.2 tptt -41.13 156.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.737 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.23 -0.095 0 CA-C-O 120.639 0.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -85.59 -63.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.7 124.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.34 157.39 17.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -124.16 110.68 14.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -120.1 2.09 10.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.83 26.91 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -131.61 150.98 51.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.9 t -57.58 170.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.4 -8.93 24.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.2 mt -102.95 -31.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 13' ' ' ARG . 75.6 m -133.37 6.31 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.69 63.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.489 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 12.7 mmm -107.39 -171.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.79 118.85 36.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.533 ' CD1' HD23 ' A' ' 32' ' ' LEU . 23.2 m-85 -51.22 -21.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -93.18 22.48 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.0 -142.2 3.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 p -125.5 -162.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.14 151.35 43.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.678 0.752 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.51 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -75.87 -16.42 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.32 140.05 22.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -121.79 -41.6 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -37.38 142.36 0.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 111.056 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.95 -48.36 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -41.07 97.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.31 -31.61 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.44 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.0 m 38.97 66.92 2.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.2 14.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.293 . . . . 0.0 112.282 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.637 ' CD1' ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -112.99 171.93 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 ' CA ' ' A' ' 43' ' ' MET . 3.4 t -115.14 141.02 33.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.637 ' CZ2' ' CD1' ' A' ' 32' ' ' LEU . 23.0 m-90 -108.18 155.0 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -109.47 170.88 14.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.471 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -37.91 -32.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -113.04 -174.88 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 p -48.89 -23.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.7 122.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -138.07 113.54 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -132.0 152.09 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 14' ' ' MET . 2.0 m80 -63.62 127.73 32.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.473 ' CA ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.72 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' MET . 17.0 m80 -32.6 -52.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.84 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.1 tp -46.3 -55.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -42.03 -43.59 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.04 -33.29 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.684 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.27 -36.0 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.623 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -101.58 -26.28 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t60 -83.79 -8.81 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -121.37 -62.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -64.81 123.75 20.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -85.85 1.52 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.99 174.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -40.54 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.457 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -50.52 -21.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' CYS . 70.1 m80 -40.54 138.83 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' HIS . 11.4 t -33.01 134.36 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.673 0.749 . . . . 0.0 110.807 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.68 -3.16 11.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.616 2.211 . . . . 0.0 112.402 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.6 mtm -127.36 -53.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -81.77 -173.82 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -119.52 13.13 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -104.39 157.59 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -49.53 118.74 2.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.472 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -46.86 118.58 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 2.1 tppp? -115.93 122.96 46.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -74.69 60.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -56.79 153.39 10.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.74 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.101 0 CA-C-O 120.594 -0.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -72.82 145.12 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.84 133.62 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.9 133.08 48.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -90.04 37.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' GLU . 42.1 m-20 -108.8 20.74 18.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 6' ' ' ASP . 51.9 mt-10 34.27 64.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 129.16 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -43.72 167.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.94 -15.67 9.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD13 ' CE2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -78.61 -50.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.19 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' N ' HG21 ' A' ' 11' ' ' ILE . 9.1 p -131.12 10.71 4.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 46.55 56.58 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.7 tpp -104.3 134.71 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.19 126.09 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 12.6 m-30 -54.3 -19.04 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.56 6.36 15.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.38 177.99 21.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.08 -172.4 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 1.8 m -76.57 151.6 82.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -19.87 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -98.23 131.47 44.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' CD ' ' HD3' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -108.71 112.58 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG12 ' CB ' ' A' ' 30' ' ' CYS . 2.1 p -129.25 88.88 49.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.468 ' HD3' ' CD ' ' A' ' 24' ' ' LYS . 54.6 Cg_endo -69.7 64.69 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.39 -156.16 12.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.414 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -119.97 0.16 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -92.61 63.14 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.548 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.6 t -157.56 47.7 0.29 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.559 0.695 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.3 Cg_endo -69.76 171.33 14.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.589 2.193 . . . . 0.0 112.3 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' O ' ' CZ3' ' A' ' 34' ' ' TRP . 3.2 pp -102.29 171.72 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 46' ' ' ILE . 9.9 p -116.33 150.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.497 ' CZ3' ' O ' ' A' ' 32' ' ' LEU . 11.1 m-90 -112.74 151.62 30.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.39 165.01 14.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' N ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -40.77 -28.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.28 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 1.9 t -64.36 -9.89 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -60.33 121.45 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 3.4 m -122.35 125.86 46.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.672 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 5.2 m-85 -139.27 151.51 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' MET . 8.1 m80 -65.76 127.37 31.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -35.56 -64.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -52.52 -50.95 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 m -50.34 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.708 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -51.57 -54.28 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -39.23 -47.27 1.63 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.43 71.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.708 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -56.11 -33.29 64.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -103.82 -24.05 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.39 -8.66 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -42.3 165.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 -22.89 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.5 m -58.45 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.96 156.28 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.629 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -72.67 -14.56 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 44.2 m80 -38.47 136.43 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.4 m -37.03 156.34 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -26.08 27.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 mtm -117.31 -58.21 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 m -67.52 175.26 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -3.59 19.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -78.54 151.92 32.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' TRP . 52.7 mt-10 -57.04 108.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.629 ' N ' HE22 ' A' ' 57' ' ' GLN . 5.9 t-105 -37.77 123.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -125.64 131.25 52.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.405 ' N ' ' HD2' ' A' ' 67' ' ' LYS . 1.5 m-85 -74.54 60.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 9.5 tptt -57.06 154.76 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.744 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.517 0.166 0 CA-C-O 120.595 -0.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -72.86 110.26 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.385 . . . . 0.0 110.892 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -112.69 6.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.76 0.79 36.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -107.39 100.32 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.25 8.41 33.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.48 6.93 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.9 129.57 56.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 13.3 t -42.23 164.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.89 -14.47 22.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mt -77.81 -54.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.735 0.303 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 13' ' ' ARG . 19.6 p -132.94 31.33 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 29.83 50.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -97.03 132.64 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.18 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.8 m-85 -47.38 -24.33 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -89.76 24.49 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.51 -167.57 11.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.17 155.01 26.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 58.2 m -53.71 143.27 39.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.72 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.36 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.282 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -72.54 -23.45 60.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 5.5 t -78.15 124.53 28.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -64.75 -11.38 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p 40.33 82.4 0.23 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.719 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -3.12 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.413 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.91 -130.69 1.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -118.62 -2.15 11.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.3 84.27 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 42.4 t -158.23 56.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.646 0.736 . . . . 0.0 110.978 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.73 171.9 13.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -115.46 169.62 9.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 2.8 t -126.74 151.28 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.539 ' CZ2' HD23 ' A' ' 32' ' ' LEU . 14.7 m-90 -113.89 159.76 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -113.04 176.63 17.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.4 -29.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.916 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLY . 21.2 p -117.55 -175.84 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.9 m -50.72 -24.76 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -38.18 114.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -124.54 117.97 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.636 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.4 m-85 -134.29 141.35 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' MET . 26.0 m80 -55.22 130.85 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.468 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -36.93 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -40.35 -55.01 2.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.3 m -45.84 -80.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -47.55 -54.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -43.26 -42.57 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.92 -37.7 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.6 -38.26 71.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.616 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -97.48 -24.22 15.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 2.3 t60 -81.86 -10.86 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 -40.63 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -67.22 145.87 54.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.13 13.34 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -50.57 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.01 147.31 41.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -26.23 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.8 m80 -38.44 137.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -30.94 145.77 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.75 . . . . 0.0 110.836 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.73 -2.79 10.74 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 0.0 112.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.45 -23.77 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 64.63 10.62 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -97.33 -175.63 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -65.11 90.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.522 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -37.44 118.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.522 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -117.15 126.5 52.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.65 60.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 5.5 tptt -49.9 149.04 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.737 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.515 0.088 0 CA-C-O 120.647 0.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -64.58 108.34 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.63 161.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 30.81 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -64.41 123.82 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -117.5 2.7 12.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -90.05 24.61 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.41 120.56 39.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 2.9 t -46.48 173.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.36 -3.97 35.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 mt -106.9 -27.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.95 4.16 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 42.79 29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -100.31 138.86 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -60.86 141.15 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 43.8 m-85 -65.05 -16.21 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -13.93 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.35 -152.69 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' CYS . 15.5 p -126.62 168.23 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -36.18 137.45 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.891 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' CYS . 53.4 Cg_endo -69.82 -89.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -36.27 -32.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.511 ' CB ' ' SG ' ' A' ' 20' ' ' CYS . 3.8 t -43.84 103.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -22.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 t 74.16 80.38 0.16 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -14.03 35.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.66 -143.04 3.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.44 -0.17 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 88.73 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.3 m -152.25 48.28 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.4 Cg_endo -69.75 -167.7 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' CZ3' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -127.78 159.49 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -116.4 154.51 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.556 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 9.3 m-90 -113.3 161.49 17.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.24 171.76 14.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.54 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.685 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.04 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' GLY . 8.2 p -114.9 174.32 6.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' HIS . 41.7 t -43.64 -26.6 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 5.7 t-80 -37.94 121.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -126.1 132.4 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 10.5 m-85 -149.81 147.97 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' MET . 9.7 m80 -68.35 133.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.94 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.4 m170 -37.77 -53.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -48.86 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.707 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.1 tp -48.04 -55.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.02 -45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -36.74 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.707 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -102.78 -23.95 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.8 t60 -82.04 -10.28 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.9 -58.58 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -112.62 156.86 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -114.94 -23.03 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.56 -44.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.7 122.07 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.75 -23.92 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' CYS . 46.7 m80 -40.64 143.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -35.25 150.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -45.78 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.8 mmm -92.52 -40.66 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.48 179.01 5.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 5.29 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -82.42 -178.13 6.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.98 102.42 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -37.9 119.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.57 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -116.05 126.51 53.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 60.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 tppp? -62.14 157.71 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 40.4 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.747 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.515 0.058 0 CA-C-O 120.671 0.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -127.7 118.67 24.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.77 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.17 9.75 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -135.04 159.87 40.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 52.46 34.5 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.9 -14.29 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.69 139.6 46.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -176.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.01 -29.39 1.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.33 -40.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.32 9.04 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 35.73 58.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -119.87 128.97 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.41 128.29 9.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 32' ' ' LEU . 22.9 m-85 -54.31 -19.44 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.93 17.46 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 165.14 24.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.74 173.27 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 1.6 m -79.16 152.64 76.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -46.82 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.01 6.99 26.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 1.4 t -125.19 105.94 9.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.01 19.86 19.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -37.31 142.86 0.37 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.084 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 68.76 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.77 149.67 7.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -93.15 -7.21 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.29 92.38 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.1 t -151.64 73.95 8.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 171.04 15.27 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -111.0 176.82 4.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' HG21 ' A' ' 46' ' ' ILE . 4.7 p -120.79 144.28 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.555 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -107.18 155.92 19.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.4 -175.78 21.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.556 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -49.23 -32.33 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.25 179.57 3.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -44.88 -25.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.4 t-80 -39.82 121.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.555 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -133.84 116.42 15.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -131.28 152.01 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' CYS . 8.7 m80 -62.32 127.7 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.98 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.6 m80 -35.5 -52.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 27.2 m -51.84 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -47.03 -55.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD22 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.6 -48.47 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.71 -37.58 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -54.8 -36.84 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.635 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -99.44 -25.16 14.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.1 t60 -79.8 -10.88 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.75 -59.01 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -81.23 105.86 12.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.493 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -89.84 -21.36 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.17 -46.23 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.36 142.92 35.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -29.65 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.1 m80 -40.79 135.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -34.88 143.32 0.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.5 Cg_endo -69.71 -19.17 36.69 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.411 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 16.6 mmm -104.01 -50.97 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.5 p -107.03 -176.14 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -96.76 -26.27 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.87 112.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.434 ' CE3' ' N ' ' A' ' 67' ' ' LYS . 4.9 t-105 -40.04 120.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -119.45 122.99 42.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -74.57 60.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 tppp? -54.98 152.86 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.939 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.745 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.119 0 CA-C-O 120.651 0.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -99.96 -34.35 10.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.0 m -64.04 156.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.18 79.17 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -70.73 115.93 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -121.01 7.85 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.26 7.14 23.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.01 134.14 49.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -43.15 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.04 -12.66 13.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.6 mt -94.69 -34.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 14' ' ' MET . 3.2 m -138.71 19.26 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 36.13 32.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' CYS . 3.0 tpp -88.05 130.21 35.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -55.18 119.85 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.4 m-85 -47.04 -25.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.97 30.54 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.8 173.65 26.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -79.23 157.7 27.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.4 m -83.74 155.16 65.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -48.45 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.3 . . . . 0.0 112.263 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -85.44 -1.14 56.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.61 115.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HG2' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.23 -31.86 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -172.61 83.87 0.43 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 0.0 111.079 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 144.27 53.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.75 -117.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.92 -15.31 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -116.61 80.36 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 34.5 m -154.21 49.11 0.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.3 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -99.83 179.5 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 22.2 t -138.16 140.64 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.0 m-90 -107.64 166.81 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -125.05 164.18 18.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.512 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.44 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.3 p -109.75 178.56 4.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.4 t -47.77 -25.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.646 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-160 -44.88 139.06 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.594 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 13.4 p -161.18 116.1 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 22.6 m-85 -134.21 165.45 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.418 ' NE2' ' HG3' ' A' ' 14' ' ' MET . 44.0 m80 -64.49 132.77 50.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.87 -62.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -54.54 -52.37 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.8 m -46.78 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 8.2 tp -54.49 -53.1 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -42.2 -51.41 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.67 -42.26 98.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -50.24 -43.31 52.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.634 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -92.3 -23.93 19.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.7 OUTLIER -81.75 -6.26 58.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.81 -66.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.14 136.9 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -118.96 37.24 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -44.25 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.96 138.33 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -24.97 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 78.5 m80 -48.0 129.83 14.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' HIS . 24.4 p -35.6 153.15 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.552 0.691 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.519 ' SD ' ' CZ ' ' A' ' 41' ' ' PHE . 9.9 mtp -63.16 -66.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -91.98 -172.54 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -111.15 12.15 21.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.74 153.19 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 15.2 pt-20 -53.31 106.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.475 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.6 t-105 -38.15 119.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.1 mmmm -117.87 123.5 46.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -75.45 55.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 156.87 20.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.738 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.109 0 CA-C-O 120.681 0.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -57.84 160.69 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.835 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -81.54 87.09 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.65 122.47 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.45 169.31 18.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 40.78 33.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.44 37.41 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 144.2 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -56.63 179.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.62 -29.97 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 mt -88.28 -26.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.081 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 13' ' ' ARG . 80.5 m -132.49 5.58 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 5.4 ppt_? 32.91 37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.1 mtp -85.45 -175.74 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 120.28 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 23.5 m-85 -50.68 -21.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -87.42 16.97 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.87 -154.83 7.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' O ' ' CE ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -115.22 -174.7 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.856 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -81.09 155.28 72.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -48.5 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.59 2.193 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LYS . 8.1 m-20 -84.51 2.28 41.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 t -47.14 92.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -36.13 -33.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 93.4 t -161.41 93.66 1.41 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.32 25.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.612 2.208 . . . . 0.0 112.384 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.21 -119.74 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -118.45 -0.09 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.26 72.85 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.4 m -157.5 49.2 0.35 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.1 Cg_endo -69.78 -166.03 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -122.48 176.55 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 46' ' ' ILE . 15.0 p -123.65 144.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.564 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 10.7 m-90 -108.41 156.59 19.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.37 174.27 17.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.12 -32.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.59 -178.55 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -47.51 -24.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -38.14 116.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -128.65 113.52 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.902 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.667 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -133.61 138.97 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 3.8 m80 -54.7 128.57 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.38 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 43' ' ' MET . 10.1 m80 -33.35 -52.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.68 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 tp -47.5 -55.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.39 -48.7 1.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.02 -38.54 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -53.68 -39.17 64.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -96.16 -25.65 15.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -78.48 -11.35 59.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -49.77 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 2.2 mm100 -71.78 176.93 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -25.65 7.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -66.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -38.08 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -114.67 -29.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' CYS . 53.4 m80 -42.61 132.28 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -33.89 148.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.71 -9.14 25.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.539 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -128.22 -66.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 4.4 p -75.27 160.47 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -15.0 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' NE2' ' HB2' ' A' ' 62' ' ' CYS . 3.3 mp0 -60.82 148.92 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.0 pt-20 -61.04 112.49 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.426 ' CE3' ' N ' ' A' ' 67' ' ' LYS . 5.0 t-105 -37.9 120.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 124.53 44.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.64 60.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' GLU . 5.9 tptm -54.91 145.24 20.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' LYS . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.749 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.231 -0.088 0 CA-C-O 120.629 0.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -120.14 128.46 53.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.47 112.06 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.11 17.21 14.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -96.54 126.95 42.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.34 1.88 12.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.51 5.13 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -125.5 141.12 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 1.9 t -46.0 172.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.509 ' N ' ' CE1' ' A' ' 41' ' ' PHE . . . -117.76 -21.87 4.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.544 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -86.23 -32.06 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -141.52 13.05 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 68.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.2 tpp -117.93 131.7 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.63 120.06 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' CG ' HD21 ' A' ' 32' ' ' LEU . 12.2 m-30 -50.43 -22.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -90.03 21.55 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.96 -139.89 4.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 4.0 m -138.99 174.9 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -82.48 147.13 55.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.94 9.27 12.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -130.3 150.15 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 126.67 53.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' ' SG ' ' A' ' 30' ' ' CYS . 13.0 t -107.17 81.27 0.95 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.059 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.88 -2.87 10.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.9 -13.9 1.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.02 -11.23 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' CYS . 26.7 t0 47.45 51.46 13.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' SG ' ' CG2' ' A' ' 25' ' ' VAL . 31.8 p -38.11 101.46 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 170.56 16.28 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.702 ' CD1' ' CH2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -110.7 -175.1 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 15.3 t -137.5 140.31 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.702 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 16.3 m-90 -104.25 157.91 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.78 177.56 18.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -28.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 62' ' ' CYS . 28.8 p -118.69 -171.94 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' HIS . 68.4 m -49.37 -33.19 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.648 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-80 -37.83 125.84 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 34' ' ' TRP . 52.6 t -148.63 115.8 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 21.4 m-85 -127.39 159.65 33.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 12.0 m80 -59.61 129.89 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.464 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.51 -64.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -52.56 -51.93 57.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 m -47.75 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.9 tp -53.86 -54.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD22 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -40.14 -49.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' CE ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -38.65 86.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -54.18 -39.73 66.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -96.74 -22.89 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.9 OUTLIER -83.01 -8.85 59.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -57.02 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' CB ' HG23 ' A' ' 55' ' ' VAL . 19.0 mp0 -125.16 147.89 48.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -80.0 4.25 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -54.59 -177.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -41.16 103.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.55 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -62.63 -12.61 24.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 68.3 m80 -38.3 134.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -35.69 153.05 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.76 -6.92 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.278 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.2 ptm -149.07 -56.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -39.57 -29.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' MET . 0.3 OUTLIER 70.06 6.84 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -107.69 -177.53 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' TRP . 14.3 mt-10 -66.22 95.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.55 ' N ' HE22 ' A' ' 57' ' ' GLN . 4.4 t-105 -37.87 119.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -117.49 125.38 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -74.68 60.38 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 144.0 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.75 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.127 0 CA-C-O 120.663 0.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 68.68 44.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.962 0.41 . . . . 0.0 110.902 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.16 121.11 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.32 125.6 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -153.71 118.01 4.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -116.29 -4.62 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.02 -11.75 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.9 125.06 53.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 5.7 t -44.06 168.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.76 -6.73 30.3 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.8 mt -99.01 -33.89 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 14.4 m -136.23 22.48 3.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.6 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -84.16 139.12 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.26 126.39 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 16.8 m-85 -51.16 -21.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.23 -15.08 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.83 -142.84 5.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -130.65 175.12 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 m -41.94 156.18 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASP . 54.3 Cg_endo -69.71 -89.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' PRO . 16.3 t70 -37.12 -34.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.1 m -56.43 89.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.15 37.58 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 26' ' ' PRO . 72.8 t -93.34 138.24 23.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 25' ' ' VAL . 53.7 Cg_endo -69.79 66.01 1.8 Allowed 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.684 2.256 . . . . 0.0 112.282 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.16 130.74 2.72 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.86 -2.46 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.23 54.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.5 m -137.6 56.71 12.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 52.7 Cg_endo -69.89 177.24 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.288 . . . . 0.0 112.285 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' CD1' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -111.56 -176.11 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG1' HG22 ' A' ' 46' ' ' ILE . 7.3 p -126.87 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.589 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 26.8 m-90 -112.69 153.25 27.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -108.94 176.47 19.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.7 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 27.4 p -112.26 -176.63 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' HIS . 10.7 p -52.55 -20.36 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t-80 -37.34 124.77 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 53.7 t -134.63 103.15 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 6.1 m-85 -124.04 146.33 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' MET . 7.2 m80 -58.32 123.15 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -37.88 -64.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -45.81 -52.58 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.2 m -55.32 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -44.37 -54.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.6 OUTLIER -44.37 -46.31 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -36.95 82.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -57.1 -43.01 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 tp -91.12 -23.37 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -82.09 -12.17 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 -33.33 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 24.9 mp0 -114.95 174.5 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 12.6 mm-40 -136.3 -41.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.06 -54.65 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -97.21 116.21 28.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -30.66 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.2 m80 -39.57 132.4 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -31.3 144.4 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -61.21 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.4 m -66.96 -177.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -115.16 -1.91 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -87.73 148.05 24.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -50.31 114.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.475 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.4 t-105 -37.84 121.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 7.5 tppt? -121.97 121.08 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.7 m-85 -74.56 60.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.05 156.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.749 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.517 0.172 0 CA-C-O 120.636 0.02 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -94.02 144.04 25.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 38.7 t -118.03 27.67 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.89 97.9 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.75 111.92 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.76 11.09 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 pt-20 -84.91 4.28 34.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 129.69 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -41.75 164.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.69 -10.0 29.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mt -87.21 -48.06 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.8 p -135.34 29.4 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.81 38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.541 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 8.0 tpp -81.22 138.73 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 124.31 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 7' ' ' GLU . 29.9 m-85 -58.57 -17.16 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.34 -1.7 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.72 -152.6 8.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.2 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 96.7 m -38.84 149.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.91 -89.78 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -40.93 -37.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 8.9 t -47.96 125.79 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -8.47 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 p 39.69 82.62 0.22 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -4.92 15.01 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.08 -127.24 1.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -115.62 -2.97 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.05 61.01 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.2 m -156.77 48.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.1 Cg_endo -69.79 172.51 12.53 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CZ3' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -98.64 160.47 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.49 144.5 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 14.6 m-90 -107.53 157.57 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.88 172.96 14.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -36.7 -33.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.913 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.7 p -112.55 179.25 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -48.65 -23.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.98 115.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.535 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -122.18 116.7 24.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.693 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.9 m-85 -137.08 144.35 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 3.2 m80 -57.41 127.93 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -35.79 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -47.96 -55.35 10.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.3 m -43.39 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.699 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.6 tp -51.89 -54.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -38.91 -44.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -71.87 -43.05 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.699 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -50.23 -31.31 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -105.63 -25.04 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.5 t60 -82.79 -3.84 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.11 -27.03 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.35 138.89 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.681 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -100.48 -21.47 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 ' HB ' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -43.01 -47.02 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 25.1 mp0 -126.45 120.52 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -27.4 11.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.6 m80 -41.5 136.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -36.28 152.08 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.1 Cg_endo -69.89 -34.01 15.0 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.7 ptp -109.93 -58.98 1.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.25 171.07 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -111.34 29.3 7.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -116.45 156.76 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 23.3 mt-10 -54.37 105.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.556 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -37.59 119.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.556 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -115.24 125.1 52.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.3 56.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -43.62 133.24 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' LYS . 4.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.739 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.128 0 CA-C-O 120.578 -0.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -121.73 21.53 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.07 108.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.06 116.97 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -124.19 93.09 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -96.41 24.29 5.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -93.79 43.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.14 137.09 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 10.8 t -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.73 -9.02 36.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 2.6 mt -85.92 -53.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.1 p -132.85 28.29 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.46 40.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 4.4 tpp -84.73 136.92 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 125.16 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 25.1 m-85 -52.92 -22.39 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.47 22.41 2.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.66 -178.56 17.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.99 -178.82 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 70.5 m -84.2 141.93 40.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.584 0.707 . . . . 0.0 110.805 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -89.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.94 -44.88 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -38.93 113.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -100.04 24.18 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -38.02 149.47 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -4.02 13.16 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.94 -160.29 8.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -119.44 -7.86 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.93 98.83 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 p -157.58 82.52 3.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.92 15.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD23 ' CZ2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -100.97 159.86 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 4.7 p -114.54 146.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' HD23 ' A' ' 32' ' ' LEU . 22.4 m-90 -111.34 155.04 23.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -109.88 173.31 16.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.597 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.08 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLY . 22.6 p -114.24 -178.5 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -50.72 -22.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -38.68 115.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -122.87 114.92 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -136.23 142.91 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' MET . 24.2 m80 -58.61 129.43 42.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.84 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -38.53 -55.45 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.41 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 52.8 m -46.01 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.2 tp -48.2 -55.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.542 ' HG ' ' CD2' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -38.71 -51.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.61 -40.76 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -51.99 -36.65 50.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -97.96 -20.23 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.961 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.542 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 7.8 m-70 -87.71 -5.44 58.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -114.32 145.84 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' NE2' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -79.7 4.2 16.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 56' ' ' GLN . 2.3 m -57.56 -157.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.46 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 38.2 mm-40 -51.8 112.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -71.81 -4.57 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.417 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 58.5 m80 -46.56 174.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 159.73 82.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.9 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -111.56 -43.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.82 150.78 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -18.39 39.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -63.26 139.29 58.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 4.4 tt0 -51.48 109.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.513 ' CD1' HD23 ' A' ' 50' ' ' LEU . 5.5 t-105 -37.36 122.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.41 124.21 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -74.65 60.14 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -38.48 149.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.741 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.127 0 CA-C-O 120.666 0.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -133.99 68.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.864 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 t -104.47 70.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.5 82.64 3.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -96.73 99.61 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.78 21.14 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.96 19.15 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.75 142.55 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.0 t -50.8 173.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 -22.34 6.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 3.7 mt -74.02 -46.23 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' MET . 21.2 p -140.65 29.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 4.5 ppt_? 33.72 35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.9 tpp -77.4 140.14 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.67 124.8 25.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.588 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 26.0 m-85 -54.09 -22.94 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -94.06 27.49 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.51 -167.62 11.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.86 -157.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -122.6 164.37 27.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.77 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -40.77 -28.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.63 106.87 16.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -123.51 112.68 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 2.9 t -167.63 133.73 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.07 22.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.36 32.85 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' CYS . 15.5 t0 -116.75 -27.21 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER 37.99 30.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' ASP . 15.2 m -36.74 98.87 0.17 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -165.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -138.16 163.9 30.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 46' ' ' ILE . 8.4 p -116.04 145.52 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.564 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 19.0 m-90 -109.7 153.75 23.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.1 179.64 23.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.632 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -45.19 -30.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -115.14 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 p -45.83 -26.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -37.96 112.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -119.73 120.59 37.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.3 m-85 -139.67 139.58 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.429 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 22.3 m80 -54.1 129.94 36.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.55 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -40.95 -54.44 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 49.1 m -46.63 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.693 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -48.69 -55.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.42 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.8 -37.73 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.16 -37.72 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.632 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -98.27 -24.58 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -80.86 -10.53 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.92 -10.17 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -122.76 127.07 48.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -108.63 24.6 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.31 -72.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.84 132.32 38.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -26.84 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.0 m80 -41.72 132.82 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.3 m -34.25 147.06 0.13 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.79 -34.39 14.58 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.86 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -72.7 -174.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -120.07 27.93 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -107.69 155.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -55.14 106.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.509 ' CD1' HD21 ' A' ' 50' ' ' LEU . 5.1 t-105 -39.08 121.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -124.56 128.62 49.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.5 60.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -45.96 150.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.743 ' H1 ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . 0 CA--C 1.516 0.097 0 CA-C-O 120.593 -0.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t 56.53 45.99 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.58 124.96 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.69 126.8 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.7 123.1 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.49 12.5 36.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -104.4 44.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.15 121.6 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -51.0 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.0 -17.79 4.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 -37.51 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.21 12.97 6.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mmt180 38.24 35.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 5.4 tpp -97.66 137.58 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -59.41 126.55 28.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.588 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 24.4 m-85 -47.86 -28.23 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.75 32.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.64 157.28 26.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -54.07 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -120.54 143.02 35.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' CYS . 53.8 Cg_endo -69.8 -89.29 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' PRO . 3.8 m-20 -35.35 -34.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 67.8 m -62.11 -92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 78.86 34.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 26' ' ' PRO . 12.9 p -80.12 137.17 53.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 25' ' ' VAL . 53.9 Cg_endo -69.8 66.34 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.381 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.85 131.76 1.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.546 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.05 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.16 93.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 t -173.0 70.34 0.39 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 171.37 14.65 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -106.89 163.32 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 46' ' ' ILE . 5.7 p -115.24 143.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 13.0 m-90 -107.93 157.37 18.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 170.31 14.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.489 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -40.63 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' HIS . 20.1 p -110.85 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -39.8 -29.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.2 t-80 -37.75 119.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -134.69 116.46 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.4 m-85 -133.48 157.29 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.402 ' O ' HG21 ' A' ' 46' ' ' ILE . 10.4 m80 -66.19 126.07 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.69 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 43' ' ' MET . 12.7 m170 -36.78 -53.31 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.1 m -51.1 -80.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -46.36 -55.43 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.696 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -52.59 -35.58 54.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.646 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -100.99 -23.01 14.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.56 -7.92 59.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.28 -68.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -89.41 167.06 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.71 17.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -51.16 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.32 98.83 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -29.92 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' CYS . 45.8 m80 -40.77 130.89 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -34.06 142.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.76 -26.67 27.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.62 2.213 . . . . 0.0 112.359 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.5 ttp -98.44 -65.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 26.0 p -81.36 -176.99 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.93 3.39 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -84.73 138.63 32.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 18.7 tt0 -39.08 110.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.508 ' CD1' HD23 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.94 120.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 3.9 tppp? -121.45 122.93 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.72 60.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 14.6 tptt -40.96 157.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.894 0.378 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.85 133.72 55.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -54.66 -179.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.99 -24.62 3.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 3.5 mt -81.32 -36.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -131.0 10.74 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 34.39 62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 2.4 ttm -121.61 156.6 32.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -73.03 125.47 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.55 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.1 m-85 -51.49 -21.32 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -91.34 23.24 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.27 -178.67 15.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 14' ' ' MET . 9.7 m -100.68 139.01 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' CYS . 84.2 m -38.28 154.05 0.14 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.867 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 14.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.75 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -122.74 165.48 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.51 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.7 p -119.92 143.22 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 11.4 m-90 -105.68 166.92 10.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.99 175.98 16.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -41.08 -35.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.945 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -114.64 -176.33 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -44.54 -26.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 7.5 t60 -37.77 119.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -135.25 113.13 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 7.8 m-85 -128.53 159.31 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.2 m80 -68.71 124.81 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -36.61 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' MET . 5.7 m170 -36.35 -52.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.4 m -52.77 -80.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.681 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.6 tp -44.86 -55.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.642 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.79 -45.83 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.04 -36.08 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -97.74 -24.74 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.78 -10.7 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 -36.98 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.12 104.75 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -80.98 -32.62 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.75 -71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -104.81 135.05 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -27.2 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.2 m80 -45.49 132.94 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -33.05 147.9 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.78 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.25 -65.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 p -82.94 158.06 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -86.69 13.48 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -89.18 146.02 25.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' TRP . 1.6 tt0 -53.03 108.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.66 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.81 120.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -120.29 122.9 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HD1' HG21 ' A' ' 33' ' ' VAL . 2.6 m-85 -74.62 60.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 8.8 ttmt -53.95 158.19 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.57 131.9 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -53.04 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.12 -26.78 2.87 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.11 -39.32 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -127.82 11.72 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' CYS . 1.7 ttm -95.86 144.68 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.41 136.52 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 32' ' ' LEU . 19.6 m-85 -60.66 -14.38 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.54 17.88 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.07 165.71 25.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -88.43 138.26 31.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.1 m -44.05 152.53 0.47 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.603 0.716 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.5 Cg_endo -69.74 170.97 15.32 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 16' ' ' PHE . 1.1 pt? -102.57 -167.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 1.9 p -138.57 141.84 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 18.6 m-90 -105.3 154.16 20.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.44 174.81 16.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.68 -28.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -105.74 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.0 m -67.28 -8.08 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.744 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -61.94 130.19 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.65 115.48 14.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.744 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 3.7 m-85 -122.91 149.55 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.2 m80 -59.14 125.26 22.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.77 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -36.36 -52.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 48.9 m -53.61 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.691 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -44.18 -55.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.8 -43.45 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.03 -36.84 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -56.58 -39.44 73.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -96.69 -26.89 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 82.9 t60 -77.59 -13.59 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.96 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.65 146.19 47.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.89 -11.53 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' OE1' ' A' ' 56' ' ' GLN . 2.8 t -51.79 -66.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.793 ' OE1' HG12 ' A' ' 55' ' ' VAL . 2.3 mp0 -115.4 142.37 46.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.511 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -114.17 -21.43 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.7 m80 -38.82 130.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.497 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -34.39 150.41 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.636 0.731 . . . . 0.0 110.847 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 -32.03 19.45 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -102.19 -60.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 12.7 p -83.73 171.01 13.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -92.82 -23.69 18.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.32 138.57 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -49.29 114.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -44.27 121.2 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.7 mmmm -121.1 124.6 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.3 56.94 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.48 148.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.56 125.77 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -42.45 164.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 -9.33 24.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 12' ' ' CYS . 1.8 mt -83.94 -51.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' N ' HG22 ' A' ' 11' ' ' ILE . 12.8 p -127.55 4.01 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 54.75 50.01 16.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.475 ' HE1' ' O ' ' A' ' 19' ' ' CYS . 8.1 ttm -101.73 152.75 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.34 126.76 31.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.2 m-85 -51.39 -21.85 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -92.13 25.2 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 178.05 18.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' O ' ' HE1' ' A' ' 14' ' ' MET . 26.4 p -100.51 141.39 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' CYS . 93.3 m -38.09 154.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.539 0.685 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 170.96 15.5 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.781 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -113.55 164.74 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.9 p -118.32 142.62 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.781 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.4 m-90 -108.52 158.15 17.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.79 172.76 14.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.595 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -37.43 -35.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 p -109.04 -179.9 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 t -49.4 -23.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.7 t-80 -37.82 119.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -127.3 114.78 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -133.61 145.03 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.4 m80 -59.26 131.63 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.31 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -38.56 -55.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 41.7 m -44.25 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.686 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.5 tp -49.63 -54.67 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.51 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.98 -36.84 75.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.686 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.57 -36.16 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -101.29 -24.64 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 84.3 t60 -81.4 -10.0 59.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -115.96 -63.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -45.61 122.85 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 52' ' ' ALA . 6.2 mp0 -78.86 -3.87 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.675 HG12 ' H ' ' A' ' 56' ' ' GLN . 1.4 t -72.24 178.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.675 ' H ' HG12 ' A' ' 55' ' ' VAL . 55.8 mm-40 -49.15 164.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.51 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -87.72 -18.53 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.8 m80 -38.06 133.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 1.1 m -35.46 153.27 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.641 0.734 . . . . 0.0 110.824 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.74 -7.05 20.05 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.3 mtm -134.01 -73.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 2.5 p -63.32 161.95 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -89.07 -3.18 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -73.93 138.28 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 8.1 tt0 -51.79 111.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.741 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.33 119.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -118.58 123.75 45.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -74.44 60.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 ttmm -50.48 155.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.55 135.84 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.522 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 7.9 t -44.54 166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.43 -6.1 25.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.66 -45.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 p -136.39 15.91 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 42.44 54.3 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.499 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 2.8 tpp -97.48 135.79 38.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -67.29 124.68 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.726 ' CD1' HD22 ' A' ' 32' ' ' LEU . 22.3 m-85 -55.88 -19.63 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.45 14.23 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.51 -160.49 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 14' ' ' MET . 16.6 p -110.71 170.9 7.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.8 m -77.27 143.91 70.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.286 . . . . 0.0 112.319 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.8 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.8 Cg_endo -69.7 -173.73 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.923 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -120.6 166.98 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -110.2 152.75 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.923 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 19.7 m-90 -115.03 150.62 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -105.45 172.68 19.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -38.18 -34.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.683 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 1.7 p -109.12 178.81 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -49.35 -25.28 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 4.9 t60 -38.15 114.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.52 121.43 38.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.7 m-85 -139.98 143.92 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 4.9 m80 -55.99 125.43 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -37.58 -65.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -49.98 -50.34 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.75 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.8 tp -50.05 -54.13 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.626 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.09 -43.1 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -36.23 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.98 -38.03 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.716 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.58 -25.45 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t60 -80.51 -11.87 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.34 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 33.0 mm-40 -130.78 172.64 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.23 15.43 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 53' ' ' GLN . 1.8 m -58.19 -178.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -42.06 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -19.3 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' CYS . 49.0 m80 -41.7 131.17 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -32.8 145.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.8 Cg_endo -69.63 -25.94 28.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 ttm -104.36 -69.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.683 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 3.2 m -68.94 -172.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -119.38 15.41 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -96.04 153.88 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -55.69 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.716 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.8 t-105 -37.92 120.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.42 127.14 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.81 60.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -49.42 148.65 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 38.9 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.52 131.61 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 4.4 t -45.25 170.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.9 -16.17 6.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.3 -43.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 p -136.78 9.86 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 46.36 57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.3 tpp -105.13 135.31 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.91 122.05 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 25.9 m-85 -50.43 -23.84 2.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -89.91 25.06 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.2 -175.73 21.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.73 162.05 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.546 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 80.0 m -84.41 143.77 42.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.788 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.615 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 42.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 172.41 12.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -112.01 169.29 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.664 ' N ' HD12 ' A' ' 32' ' ' LEU . 12.0 p -125.0 149.26 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 11.7 m-90 -112.77 152.43 29.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.76 165.84 13.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.74 -28.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.69 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -65.02 -8.99 18.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 1.8 t-80 -61.11 124.83 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.8 m -126.34 128.04 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 5.9 m-85 -142.74 146.97 34.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 6.6 m80 -59.43 127.8 33.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.06 -69.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.615 ' CD2' ' HG ' ' A' ' 30' ' ' CYS . 6.1 m-70 -48.61 -51.44 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HG ' ' HD1' ' A' ' 42' ' ' HIS . 47.1 m -49.22 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.694 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -50.9 -54.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.636 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -40.92 -46.42 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.66 -36.14 73.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.694 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.37 -35.99 68.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.676 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -100.32 -24.79 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.15 -9.73 59.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -123.23 172.61 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -113.25 -0.27 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -38.53 -62.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.7 126.28 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 72.6 m80 -49.19 179.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.73 160.38 82.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.616 2.211 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -58.77 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.7 p -76.59 179.3 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.37 -32.52 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -38.29 138.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.5 pt-20 -55.1 107.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.676 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.7 t-105 -37.76 122.95 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.49 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 11.4 tppt? -126.52 124.68 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.56 60.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 30.7 ttpt -38.21 139.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.02 127.18 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.569 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 1.4 t -49.79 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.84 -20.69 5.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.9 -47.79 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ARG . 24.5 p -132.74 20.87 4.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.04 47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 15' ' ' ALA . 5.4 tpt -103.8 132.81 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' H ' ' HE3' ' A' ' 14' ' ' MET . . . -53.58 127.23 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m-85 -48.41 -24.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -92.6 26.83 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.07 155.53 22.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.46 -169.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 158.58 38.43 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.629 0.728 . . . . 0.0 110.806 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.343 0.237 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 46.6 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.617 0.722 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.2 Cg_endo -69.64 173.32 11.04 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -104.88 162.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -117.93 150.57 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.8 m-90 -113.89 154.76 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.21 171.6 19.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.57 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -40.26 -36.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -108.48 177.64 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' HIS . 69.7 m -42.75 -27.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.51 119.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -127.17 118.86 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.7 m-85 -137.86 144.85 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . 12.3 m80 -61.33 128.29 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.21 -62.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -50.49 -51.99 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.6 m -52.62 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.701 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.7 tp -49.02 -54.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.631 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.34 -45.99 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.67 -36.71 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.701 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.03 -36.83 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.681 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -100.07 -25.96 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t60 -78.68 -12.15 60.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.15 -53.55 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.7 177.96 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.513 ' OE1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -139.73 16.37 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.513 HG13 ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -111.25 -47.27 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -106.01 108.91 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -110.81 -25.92 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.0 m80 -39.05 125.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.1 t -34.59 143.54 0.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.69 -43.08 2.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.38 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 39' ' ' HIS . 63.1 mmm -74.84 -81.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -77.38 178.92 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -102.58 11.81 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -87.27 138.93 31.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -38.15 114.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.452 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -43.06 120.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 12.8 tppt? -120.87 126.13 49.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.61 60.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 4.8 tptm -54.46 145.42 18.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.599 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 137.76 41.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 8.9 t -52.54 165.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.85 -9.95 31.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 12' ' ' CYS . 3.0 mt -84.02 -53.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' N ' HG22 ' A' ' 11' ' ' ILE . 21.3 p -132.75 25.36 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.86 50.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.6 tpt -95.2 132.98 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 132.26 48.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CD1' HD22 ' A' ' 32' ' ' LEU . 19.3 m-85 -62.62 -13.17 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -86.44 14.84 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.18 173.0 29.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 p -83.85 166.85 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.82 142.86 94.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.596 0.713 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.936 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -121.95 174.48 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -120.33 147.17 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.936 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.1 m-90 -109.43 158.33 18.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.19 169.58 13.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.19 -31.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 -179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 7.2 p -112.86 179.45 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.9 p -47.67 -24.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.632 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 10.5 t60 -39.28 113.08 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.89 117.87 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.632 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 11.1 m-85 -138.91 142.11 38.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 46' ' ' ILE . 19.5 m80 -57.94 128.73 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.58 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -49.97 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.682 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.1 tp -46.56 -54.76 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.643 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.64 -41.89 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -35.18 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.682 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.07 -36.61 75.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -99.28 -25.3 14.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 45.5 t-80 -82.95 -10.75 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.29 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -116.5 158.28 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.72 6.58 23.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -56.87 -177.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.551 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.6 pm0 -39.55 120.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . 4.3 pp0? -72.7 -3.94 28.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 49.6 m80 -46.06 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.49 159.54 85.22 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 -28.43 25.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.759 2.306 . . . . 0.0 112.322 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.88 -73.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 p -59.55 170.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -93.3 -21.19 19.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -54.69 137.28 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' TRP . 2.6 tt0 -53.66 110.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.667 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.54 119.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 tppt? -119.05 125.56 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.67 60.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 17.2 tptt -41.13 156.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -131.61 150.98 51.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.9 t -57.58 170.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.4 -8.93 24.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.49 HG22 ' SG ' ' A' ' 12' ' ' CYS . 17.2 mt -102.95 -31.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' SG ' HG22 ' A' ' 11' ' ' ILE . 75.6 m -133.37 6.31 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.69 63.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.504 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 12.7 mmm -107.39 -171.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.79 118.85 36.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.722 ' CD1' HD22 ' A' ' 32' ' ' LEU . 23.2 m-85 -51.22 -21.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -93.18 22.48 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.0 -142.2 3.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 p -125.5 -162.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.14 151.35 43.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.678 0.752 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.2 14.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.293 . . . . 0.0 112.282 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.98 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -112.99 171.93 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' CA ' ' A' ' 43' ' ' MET . 3.4 t -115.14 141.02 33.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.98 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.0 m-90 -108.18 155.0 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -109.47 170.88 14.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -37.91 -32.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -113.04 -174.88 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 p -48.89 -23.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 9.9 t60 -37.7 122.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -138.07 113.54 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.61 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.5 m-85 -132.0 152.09 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 14' ' ' MET . 2.0 m80 -63.62 127.73 32.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.54 ' CA ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.72 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' MET . 17.0 m80 -32.6 -52.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.84 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.1 tp -46.3 -55.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -42.03 -43.59 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.04 -33.29 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.684 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.27 -36.0 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.647 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -101.58 -26.28 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t60 -83.79 -8.81 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . -121.37 -62.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -64.81 123.75 20.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -85.85 1.52 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 56' ' ' GLN . 2.0 t -64.99 174.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.658 ' H ' HG12 ' A' ' 55' ' ' VAL . 78.6 mm-40 -40.54 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.457 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -50.52 -21.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' CYS . 70.1 m80 -40.54 138.83 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' HIS . 11.4 t -33.01 134.36 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.673 0.749 . . . . 0.0 110.807 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.68 -3.16 11.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.616 2.211 . . . . 0.0 112.402 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.6 mtm -127.36 -53.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -81.77 -173.82 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -119.52 13.13 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -104.39 157.59 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -49.53 118.74 2.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.472 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -46.86 118.58 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 2.1 tppp? -115.93 122.96 46.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -74.69 60.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -56.79 153.39 10.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 51.9 mt-10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 129.16 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -43.72 167.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.94 -15.67 9.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.861 HD12 ' CD2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -78.61 -50.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.19 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 11' ' ' ILE . 9.1 p -131.12 10.71 4.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 46.55 56.58 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.7 tpp -104.3 134.71 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.19 126.09 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.6 m-30 -54.3 -19.04 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.56 6.36 15.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.38 177.99 21.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.08 -172.4 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.57 151.6 82.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.559 0.695 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.3 Cg_endo -69.76 171.33 14.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.589 2.193 . . . . 0.0 112.3 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.658 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -102.29 171.72 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -116.33 150.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.658 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 11.1 m-90 -112.74 151.62 30.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.39 165.01 14.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.438 ' N ' ' HB2' ' A' ' 69' ' ' LYS . 1.8 pt20 -40.77 -28.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.28 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.36 -9.89 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -60.33 121.45 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 3.4 m -122.35 125.86 46.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.861 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.2 m-85 -139.27 151.51 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.462 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.1 m80 -65.76 127.37 31.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -35.56 -64.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -52.52 -50.95 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 m -50.34 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.708 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -51.57 -54.28 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.627 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.23 -47.27 1.63 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.43 71.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.708 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -56.11 -33.29 64.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -103.82 -24.05 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.568 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.39 -8.66 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -42.3 165.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 -22.89 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 56' ' ' GLN . 1.5 m -58.45 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.595 ' N ' HG23 ' A' ' 55' ' ' VAL . 54.6 mm-40 -64.96 156.28 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.664 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -72.67 -14.56 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 44.2 m80 -38.47 136.43 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.4 m -37.03 156.34 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -26.08 27.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 mtm -117.31 -58.21 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 m -67.52 175.26 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -3.59 19.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -78.54 151.92 32.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' TRP . 52.7 mt-10 -57.04 108.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.737 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.9 t-105 -37.77 123.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -125.64 131.25 52.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.5 m-85 -74.54 60.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 9.5 tptt -57.06 154.76 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.9 129.57 56.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 13.3 t -42.23 164.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.89 -14.47 22.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.522 HD12 ' HD2' ' A' ' 41' ' ' PHE . 2.8 mt -77.81 -54.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.735 0.303 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 13' ' ' ARG . 19.6 p -132.94 31.33 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 29.83 50.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -97.03 132.64 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.18 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.8 m-85 -47.38 -24.33 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -89.76 24.49 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.51 -167.57 11.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.17 155.01 26.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -53.71 143.27 39.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.72 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.282 . . . . 0.0 112.36 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 42.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.646 0.736 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.73 171.9 13.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -115.46 169.62 9.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -126.74 151.28 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -113.89 159.76 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -113.04 176.63 17.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.4 -29.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.916 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLY . 21.2 p -117.55 -175.84 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.9 m -50.72 -24.76 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.557 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 4.8 t60 -38.18 114.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -124.54 117.97 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 8.4 m-85 -134.29 141.35 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 26.0 m80 -55.22 130.85 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -36.93 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -40.35 -55.01 2.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.3 m -45.84 -80.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -47.55 -54.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.26 -42.57 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.92 -37.7 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.6 -38.26 71.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -97.48 -24.22 15.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 2.3 t60 -81.86 -10.86 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 -40.63 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -67.22 145.87 54.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 13.34 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -50.57 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -139.01 147.31 41.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -26.23 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.8 m80 -38.44 137.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -30.94 145.77 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.75 . . . . 0.0 110.836 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.73 -2.79 10.74 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 0.0 112.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.45 -23.77 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 64.63 10.62 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -97.33 -175.63 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -65.11 90.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.644 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.44 118.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.522 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -117.15 126.5 52.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.65 60.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 5.5 tptt -49.9 149.04 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.41 120.56 39.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 2.9 t -46.48 173.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.36 -3.97 35.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 41' ' ' PHE . 6.4 mt -106.9 -27.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.95 4.16 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 42.79 29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -100.31 138.86 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -60.86 141.15 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 43.8 m-85 -65.05 -16.21 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -13.93 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.35 -152.69 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' CYS . 15.5 p -126.62 168.23 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -36.18 137.45 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.891 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.4 Cg_endo -69.75 -167.7 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -127.78 159.49 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.603 ' O ' HD12 ' A' ' 32' ' ' LEU . 6.5 p -116.4 154.51 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.554 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 9.3 m-90 -113.3 161.49 17.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.24 171.76 14.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.54 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.527 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 2.6 pm0 -39.04 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.527 ' SG ' ' NE2' ' A' ' 36' ' ' GLN . 8.2 p -114.9 174.32 6.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' HIS . 41.7 t -43.64 -26.6 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 5.7 t-80 -37.94 121.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -126.1 132.4 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.632 ' CD2' HD12 ' A' ' 11' ' ' ILE . 10.5 m-85 -149.81 147.97 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.7 m80 -68.35 133.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.94 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.4 m170 -37.77 -53.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 4.3 m -48.86 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.707 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.1 tp -48.04 -55.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.02 -45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -36.74 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.707 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.649 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -102.78 -23.95 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.8 t60 -82.04 -10.28 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.9 -58.58 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -112.62 156.86 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -114.94 -23.03 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.56 -44.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.7 122.07 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.75 -23.92 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' CYS . 46.7 m80 -40.64 143.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -35.25 150.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -45.78 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.8 mmm -92.52 -40.66 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.48 179.01 5.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 5.29 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -82.42 -178.13 6.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.98 102.42 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.9 119.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.57 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -116.05 126.51 53.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 60.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 tppp? -62.14 157.71 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.69 139.6 46.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -176.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.01 -29.39 1.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.33 -40.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.32 9.04 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 35.73 58.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -119.87 128.97 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.41 128.29 9.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.85 ' CD1' HD13 ' A' ' 32' ' ' LEU . 22.9 m-85 -54.31 -19.44 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.93 17.46 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 165.14 24.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.74 173.27 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.16 152.64 76.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 171.04 15.27 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -111.0 176.82 4.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 46' ' ' ILE . 4.7 p -120.79 144.28 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -107.18 155.92 19.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.4 -175.78 21.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -49.23 -32.33 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.25 179.57 3.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -44.88 -25.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 5.2 t60 -39.82 121.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -133.84 116.42 15.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m-85 -131.28 152.01 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.7 m80 -62.32 127.7 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.98 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.6 m80 -35.5 -52.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 27.2 m -51.84 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -47.03 -55.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.831 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.6 -48.47 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.831 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.71 -37.58 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -54.8 -36.84 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -99.44 -25.16 14.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.1 t60 -79.8 -10.88 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.75 -59.01 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -81.23 105.86 12.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -21.36 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.696 HG23 ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -43.17 -46.23 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.696 ' OE1' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -140.36 142.92 35.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -110.45 -29.65 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.1 m80 -40.79 135.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -34.88 143.32 0.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.5 Cg_endo -69.71 -19.17 36.69 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.411 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 16.6 mmm -104.01 -50.97 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.5 p -107.03 -176.14 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -96.76 -26.27 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.87 112.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.649 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.9 t-105 -40.04 120.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.434 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -119.45 122.99 42.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -74.57 60.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 tppp? -54.98 152.86 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.939 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.956 0.408 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.01 134.14 49.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -43.15 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.04 -12.66 13.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.535 HG22 ' SG ' ' A' ' 12' ' ' CYS . 97.6 mt -94.69 -34.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 11' ' ' ILE . 3.2 m -138.71 19.26 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 36.13 32.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' CYS . 3.0 tpp -88.05 130.21 35.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -55.18 119.85 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.4 m-85 -47.04 -25.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.97 30.54 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.8 173.65 26.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -79.23 157.7 27.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.4 m -83.74 155.16 65.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.3 . . . . 0.0 112.263 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 34.5 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.3 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.848 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -99.83 179.5 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 22.2 t -138.16 140.64 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.848 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.0 m-90 -107.64 166.81 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -125.05 164.18 18.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLY . 3.9 pm0 -37.44 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.3 p -109.75 178.56 4.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.4 t -47.77 -25.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.646 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-160 -44.88 139.06 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 13.4 p -161.18 116.1 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 22.6 m-85 -134.21 165.45 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' ILE . 44.0 m80 -64.49 132.77 50.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.87 -62.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 8.0 m80 -54.54 -52.37 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.8 m -46.78 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 8.2 tp -54.49 -53.1 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.728 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -42.2 -51.41 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.728 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.67 -42.26 98.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -50.24 -43.31 52.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.714 HD22 ' HD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -92.3 -23.93 19.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.7 OUTLIER -81.75 -6.26 58.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.81 -66.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.14 136.9 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -118.96 37.24 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -44.25 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.96 138.33 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -24.97 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 90.2 m-70 -48.0 129.83 14.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' HG ' ' C ' ' A' ' 62' ' ' CYS . 24.4 p -35.6 153.15 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.552 0.691 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.519 ' SD ' ' CZ ' ' A' ' 41' ' ' PHE . 9.9 mtp -63.16 -66.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' C ' ' HG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -91.98 -172.54 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -111.15 12.15 21.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.74 153.19 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 15.2 pt-20 -53.31 106.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.714 ' HD1' HD22 ' A' ' 50' ' ' LEU . 4.6 t-105 -38.15 119.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.1 mmmm -117.87 123.5 46.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.66 ' HD1' HG11 ' A' ' 33' ' ' VAL . 4.9 m-85 -75.45 55.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 156.87 20.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 144.2 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -56.63 179.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.62 -29.97 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.665 HD12 ' HD2' ' A' ' 41' ' ' PHE . 6.2 mt -88.28 -26.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.081 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 13' ' ' ARG . 80.5 m -132.49 5.58 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 5.4 ppt_? 32.91 37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.1 mtp -85.45 -175.74 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 120.28 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.845 ' CD1' HD13 ' A' ' 32' ' ' LEU . 23.5 m-85 -50.68 -21.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -87.42 16.97 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.87 -154.83 7.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' O ' ' CE ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -115.22 -174.7 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.856 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -81.09 155.28 72.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.59 2.193 . . . . 0.0 112.334 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.651 0.738 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.1 Cg_endo -69.78 -166.03 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.845 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -122.48 176.55 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 41' ' ' PHE . 15.0 p -123.65 144.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 10.7 m-90 -108.41 156.59 19.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.37 174.27 17.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.12 -32.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.59 -178.55 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -47.51 -24.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 9.6 t60 -38.14 116.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -128.65 113.52 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.902 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.665 ' HD2' HD12 ' A' ' 11' ' ' ILE . 9.5 m-85 -133.61 138.97 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 3.8 m80 -54.7 128.57 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.38 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 43' ' ' MET . 10.1 m80 -33.35 -52.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.68 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 tp -47.5 -55.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.842 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.39 -48.7 1.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.02 -38.54 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -53.68 -39.17 64.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.657 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -96.16 -25.65 15.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 1.1 t60 -78.48 -11.35 59.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -49.77 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 2.2 mm100 -71.78 176.93 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -25.65 7.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -66.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -38.08 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -114.67 -29.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' CYS . 53.4 m80 -42.61 132.28 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -33.89 148.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.71 -9.14 25.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.451 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -128.22 -66.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 4.4 p -75.27 160.47 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -15.0 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 62' ' ' CYS . 3.3 mp0 -60.82 148.92 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.0 pt-20 -61.04 112.49 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -37.9 120.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 124.53 44.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.64 60.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' GLU . 5.9 tptm -54.91 145.24 20.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' LYS . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.79 0.328 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -125.5 141.12 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 1.9 t -46.0 172.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.509 ' N ' ' CE1' ' A' ' 41' ' ' PHE . . . -117.76 -21.87 4.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.544 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -86.23 -32.06 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -141.52 13.05 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 68.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.405 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 7.2 tpp -117.93 131.7 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.63 120.06 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.83 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.2 m-30 -50.43 -22.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -90.03 21.55 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.96 -139.89 4.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -138.99 174.9 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.48 147.13 55.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 170.56 16.28 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -110.7 -175.1 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 15.3 t -137.5 140.31 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.702 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 16.3 m-90 -104.25 157.91 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.78 177.56 18.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.42 -28.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.69 -171.94 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' HIS . 68.4 m -49.37 -33.19 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-80 -37.83 125.84 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 34' ' ' TRP . 52.6 t -148.63 115.8 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 21.4 m-85 -127.39 159.65 33.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 12.0 m80 -59.61 129.89 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.464 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.51 -64.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -52.56 -51.93 57.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 m -47.75 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.9 tp -53.86 -54.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.774 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -40.14 -49.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.774 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -38.65 86.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -54.18 -39.73 66.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -96.74 -22.89 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.9 OUTLIER -83.01 -8.85 59.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -57.02 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.59 ' CB ' HG22 ' A' ' 55' ' ' VAL . 19.0 mp0 -125.16 147.89 48.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.0 4.25 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.59 HG22 ' CB ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -54.59 -177.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -41.16 103.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.586 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -62.63 -12.61 24.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 68.3 m80 -38.3 134.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -35.69 153.05 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.76 -6.92 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.278 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.2 ptm -149.07 -56.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.57 -29.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' MET . 0.3 OUTLIER 70.06 6.84 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -107.69 -177.53 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' TRP . 14.3 mt-10 -66.22 95.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.693 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.4 t-105 -37.87 119.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -117.49 125.38 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -74.68 60.38 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 144.0 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.9 125.06 53.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 5.7 t -44.06 168.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.76 -6.73 30.3 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD12 ' HD2' ' A' ' 41' ' ' PHE . 16.8 mt -99.01 -33.89 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 14.4 m -136.23 22.48 3.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.6 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -84.16 139.12 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.26 126.39 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 16.8 m-85 -51.16 -21.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.23 -15.08 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.83 -142.84 5.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -130.65 175.12 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 m -41.94 156.18 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 52.7 Cg_endo -69.89 177.24 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.288 . . . . 0.0 112.285 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.945 HD13 ' SG ' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -111.56 -176.11 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 41' ' ' PHE . 7.3 p -126.87 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.589 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 26.8 m-90 -112.69 153.25 27.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -108.94 176.47 19.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.7 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 27.4 p -112.26 -176.63 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' HIS . 10.7 p -52.55 -20.36 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t-80 -37.34 124.77 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.945 ' SG ' HD13 ' A' ' 32' ' ' LEU . 53.7 t -134.63 103.15 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 6.1 m-85 -124.04 146.33 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 7.2 m80 -58.32 123.15 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -37.88 -64.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -45.81 -52.58 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.2 m -55.32 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -44.37 -54.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -44.37 -46.31 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -36.95 82.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -57.1 -43.01 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 66' ' ' TRP . 1.1 tp -91.12 -23.37 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -82.09 -12.17 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 -33.33 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -114.95 174.5 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -136.3 -41.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.06 -54.65 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -97.21 116.21 28.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -118.52 -30.66 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.2 m80 -39.57 132.4 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -31.3 144.4 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -61.21 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.4 m -66.96 -177.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -115.16 -1.91 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -87.73 148.05 24.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -50.31 114.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.746 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.4 t-105 -37.84 121.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 7.5 tppt? -121.97 121.08 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.7 m-85 -74.56 60.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.05 156.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 pt-20 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 129.69 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -41.75 164.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.69 -10.0 29.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mt -87.21 -48.06 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.8 p -135.34 29.4 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.81 38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.541 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 8.0 tpp -81.22 138.73 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 124.31 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 7' ' ' GLU . 29.9 m-85 -58.57 -17.16 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.34 -1.7 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.72 -152.6 8.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.2 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.7 m -38.84 149.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.1 Cg_endo -69.79 172.51 12.53 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -98.64 160.47 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -114.49 144.5 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.676 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 14.6 m-90 -107.53 157.57 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.88 172.96 14.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -36.7 -33.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.913 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.7 p -112.55 179.25 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -48.65 -23.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.676 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 11.4 t60 -37.98 115.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -122.18 116.7 24.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.676 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.9 m-85 -137.08 144.35 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 3.2 m80 -57.41 127.93 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -35.79 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -47.96 -55.35 10.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.3 m -43.39 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.699 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.6 tp -51.89 -54.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.878 HD23 ' HD2' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -38.91 -44.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.878 ' HD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.87 -43.05 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.699 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -50.23 -31.31 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -105.63 -25.04 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.5 t60 -82.79 -3.84 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.11 -27.03 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.35 138.89 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -100.48 -21.47 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.44 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.01 -47.02 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 25.1 mp0 -126.45 120.52 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -27.4 11.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.6 m80 -41.5 136.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -36.28 152.08 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.1 Cg_endo -69.89 -34.01 15.0 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.7 ptp -109.93 -58.98 1.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.25 171.07 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -111.34 29.3 7.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -116.45 156.76 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 23.3 mt-10 -54.37 105.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.715 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.59 119.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.556 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -115.24 125.1 52.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.3 56.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -43.62 133.24 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' LYS . 4.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.14 137.09 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 10.8 t -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.73 -9.02 36.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' CYS . 2.6 mt -85.92 -53.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.1 p -132.85 28.29 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.46 40.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.44 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 4.4 tpp -84.73 136.92 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 125.16 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.1 m-85 -52.92 -22.39 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.47 22.41 2.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.66 -178.56 17.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.99 -178.82 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.5 m -84.2 141.93 40.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.584 0.707 . . . . 0.0 110.805 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.92 15.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.61 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -100.97 159.86 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 41' ' ' PHE . 4.7 p -114.54 146.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.61 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 22.4 m-90 -111.34 155.04 23.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -109.88 173.31 16.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.546 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 2.9 pm0 -38.08 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.546 ' SG ' ' NE2' ' A' ' 36' ' ' GLN . 22.6 p -114.24 -178.5 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -50.72 -22.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 9.4 t60 -38.68 115.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -122.87 114.92 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.7 m-85 -136.23 142.91 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.2 m80 -58.61 129.43 42.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.84 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -38.53 -55.45 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 52.8 m -46.01 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.2 tp -48.2 -55.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.802 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.71 -51.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.802 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.61 -40.76 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -51.99 -36.65 50.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -97.96 -20.23 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.961 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 8.6 m80 -87.71 -5.44 58.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HB3' HG13 ' A' ' 55' ' ' VAL . 17.6 mm-40 -114.32 145.84 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 4.2 16.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.716 HG23 ' N ' ' A' ' 56' ' ' GLN . 2.3 m -57.56 -157.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.716 ' N ' HG23 ' A' ' 55' ' ' VAL . 38.2 mm-40 -51.8 112.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -71.81 -4.57 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.417 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 58.5 m80 -46.56 174.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 159.73 82.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.9 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -111.56 -43.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.82 150.78 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -18.39 39.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -63.26 139.29 58.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 4.4 tt0 -51.48 109.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.87 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.5 t-105 -37.36 122.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.41 124.21 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -74.65 60.14 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -38.48 149.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.903 0.382 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.75 142.55 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.0 t -50.8 173.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 -22.34 6.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 3.7 mt -74.02 -46.23 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' MET . 21.2 p -140.65 29.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 4.5 ppt_? 33.72 35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.9 tpp -77.4 140.14 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.67 124.8 25.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 26.0 m-85 -54.09 -22.94 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -94.06 27.49 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.51 -167.62 11.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.86 -157.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -122.6 164.37 27.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.433 ' CB ' ' SG ' ' A' ' 20' ' ' CYS . 15.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.624 0.726 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -165.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -138.16 163.9 30.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.4 p -116.04 145.52 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 19.0 m-90 -109.7 153.75 23.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.1 179.64 23.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 3.0 pm0 -45.19 -30.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' SG ' ' NE2' ' A' ' 36' ' ' GLN . 22.6 p -115.14 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 p -45.83 -26.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 6.7 t60 -37.96 112.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -119.73 120.59 37.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 10.3 m-85 -139.67 139.58 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' ILE . 22.3 m80 -54.1 129.94 36.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.55 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -40.95 -54.44 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 49.1 m -46.63 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.693 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -48.69 -55.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.857 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.42 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.857 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.8 -37.73 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.16 -37.72 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.27 -24.58 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 76.8 t60 -80.86 -10.53 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.92 -10.17 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -122.76 127.07 48.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -108.63 24.6 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.31 -72.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.84 132.32 38.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -26.84 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.0 m80 -41.72 132.82 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.3 m -34.25 147.06 0.13 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.79 -34.39 14.58 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.86 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -72.7 -174.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -120.07 27.93 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -107.69 155.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -55.14 106.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.719 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -39.08 121.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -124.56 128.62 49.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.5 60.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -45.96 150.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.801 0.334 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.15 121.6 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -51.0 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.0 -17.79 4.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 -37.51 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.21 12.97 6.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mmt180 38.24 35.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 5.4 tpp -97.66 137.58 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -59.41 126.55 28.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 24.4 m-85 -47.86 -28.23 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.75 32.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.64 157.28 26.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -54.07 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -120.54 143.02 35.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 171.37 14.65 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -106.89 163.32 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.7 p -115.24 143.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 13.0 m-90 -107.93 157.37 18.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 170.31 14.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -40.63 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' HIS . 20.1 p -110.85 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -39.8 -29.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t60 -37.75 119.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -134.69 116.46 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.476 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 10.4 m-85 -133.48 157.29 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' HG22 ' A' ' 46' ' ' ILE . 10.4 m80 -66.19 126.07 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.69 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 43' ' ' MET . 12.7 m170 -36.78 -53.31 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.1 m -51.1 -80.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -46.36 -55.43 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.872 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.872 ' HE2' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.696 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -52.59 -35.58 54.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -100.99 -23.01 14.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -82.56 -7.92 59.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . . . -87.28 -68.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -89.41 167.06 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.496 ' OE1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -131.71 17.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.496 HG13 ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -104.23 -51.16 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.32 98.83 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -29.92 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' CYS . 45.8 m80 -40.77 130.89 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.505 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -34.06 142.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.76 -26.67 27.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.62 2.213 . . . . 0.0 112.359 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.5 ttp -98.44 -65.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 26.0 p -81.36 -176.99 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.93 3.39 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -84.73 138.63 32.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 18.7 tt0 -39.08 110.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.752 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.94 120.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 3.9 tppp? -121.45 122.93 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.72 60.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 14.6 tptt -40.96 157.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.11 0 CA-C-O 120.583 -0.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -102.81 0.5 32.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 4' ' ' ALA . 40.2 t -68.06 156.08 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.449 ' N ' HG12 ' A' ' 3' ' ' VAL . . . -101.72 88.1 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -104.71 116.13 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.66 9.87 32.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.3 0.21 49.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.85 133.72 55.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -54.66 -179.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.99 -24.62 3.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 3.5 mt -81.32 -36.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -131.0 10.74 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 34.39 62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 2.4 ttm -121.61 156.6 32.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -73.03 125.47 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.55 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.1 m-85 -51.49 -21.32 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -91.34 23.24 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.27 -178.67 15.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 14' ' ' MET . 9.7 m -100.68 139.01 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 84.2 m -38.28 154.05 0.14 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -48.34 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -82.23 6.61 16.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 1.5 t -121.62 115.65 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 26.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.15 144.27 98.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.76 61.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -116.18 -70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -124.19 67.56 1.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 14.4 m -148.14 48.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.75 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -122.74 165.48 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.51 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.7 p -119.92 143.22 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 11.4 m-90 -105.68 166.92 10.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.99 175.98 16.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -41.08 -35.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.945 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -114.64 -176.33 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -44.54 -26.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 7.5 t60 -37.77 119.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -135.25 113.13 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 7.8 m-85 -128.53 159.31 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.2 m80 -68.71 124.81 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -36.61 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' MET . 5.7 m170 -36.35 -52.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.4 m -52.77 -80.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.681 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.6 tp -44.86 -55.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.642 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.79 -45.83 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.04 -36.08 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -97.74 -24.74 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.78 -10.7 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 -36.98 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.12 104.75 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -80.98 -32.62 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.75 -71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -104.81 135.05 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -27.2 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.2 m80 -45.49 132.94 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -33.05 147.9 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.78 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.25 -65.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 p -82.94 158.06 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -86.69 13.48 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -89.18 146.02 25.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' TRP . 1.6 tt0 -53.03 108.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.66 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.81 120.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -120.29 122.9 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HD1' HG21 ' A' ' 33' ' ' VAL . 2.6 m-85 -74.62 60.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 8.8 ttmt -53.95 158.19 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.141 0 CA-C-O 120.64 0.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -98.91 13.74 31.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.017 0.436 . . . . 0.0 110.824 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -104.61 124.92 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.06 150.52 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -136.42 120.35 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.09 3.59 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.35 14.88 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.57 131.9 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -53.04 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.12 -26.78 2.87 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.11 -39.32 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -127.82 11.72 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' CYS . 1.7 ttm -95.86 144.68 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.41 136.52 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 32' ' ' LEU . 19.6 m-85 -60.66 -14.38 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -89.54 17.88 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.07 165.71 25.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -88.43 138.26 31.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 13.1 m -44.05 152.53 0.47 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.603 0.716 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -77.24 0.98 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 43.6 t -97.79 110.03 22.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 26' ' ' PRO . 3.9 ptmt -58.91 -15.47 12.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.3 p 40.65 82.72 0.22 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.542 0.686 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 53.3 Cg_endo -69.86 -3.12 11.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.01 -136.82 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -120.07 -0.29 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.86 97.4 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.4 m -156.43 50.77 0.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.5 Cg_endo -69.74 170.97 15.32 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 16' ' ' PHE . 1.1 pt? -102.57 -167.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 1.9 p -138.57 141.84 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 18.6 m-90 -105.3 154.16 20.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.44 174.81 16.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.68 -28.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -105.74 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.0 m -67.28 -8.08 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.744 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -61.94 130.19 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.65 115.48 14.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.744 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 3.7 m-85 -122.91 149.55 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.2 m80 -59.14 125.26 22.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.77 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -36.36 -52.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 48.9 m -53.61 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.691 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -44.18 -55.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.8 -43.45 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.03 -36.84 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -56.58 -39.44 73.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -96.69 -26.89 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 82.9 t60 -77.59 -13.59 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.96 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.65 146.19 47.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.89 -11.53 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' OE1' ' A' ' 56' ' ' GLN . 2.8 t -51.79 -66.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.793 ' OE1' HG12 ' A' ' 55' ' ' VAL . 2.3 mp0 -115.4 142.37 46.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.511 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -114.17 -21.43 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.7 m80 -38.82 130.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.497 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -34.39 150.41 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.636 0.731 . . . . 0.0 110.847 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 -32.03 19.45 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -102.19 -60.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 12.7 p -83.73 171.01 13.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -92.82 -23.69 18.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.32 138.57 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -49.29 114.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -44.27 121.2 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.7 mmmm -121.1 124.6 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.3 56.94 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.48 148.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.125 0 CA-C-O 120.628 0.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -84.52 135.91 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.93 159.06 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.71 149.17 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -75.21 167.29 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 40.89 28.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.73 -1.76 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.56 125.77 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -42.45 164.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 -9.33 24.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 12' ' ' CYS . 1.8 mt -83.94 -51.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' N ' HG22 ' A' ' 11' ' ' ILE . 12.8 p -127.55 4.01 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 54.75 50.01 16.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.475 ' HE1' ' O ' ' A' ' 19' ' ' CYS . 8.1 ttm -101.73 152.75 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.34 126.76 31.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.2 m-85 -51.39 -21.85 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -92.13 25.2 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 178.05 18.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' O ' ' HE1' ' A' ' 14' ' ' MET . 26.4 p -100.51 141.39 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 93.3 m -38.09 154.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -48.38 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -79.48 2.66 21.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.0 t -108.37 73.0 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HE2' ' N ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -72.79 110.05 6.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG12 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER -157.09 139.33 10.36 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.192 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.695 ' HD2' HG12 ' A' ' 25' ' ' VAL . 53.3 Cg_endo -69.65 -8.19 22.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.4 -166.97 31.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' CYS . 3.8 m-20 -119.61 -0.09 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -54.11 86.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 12.7 t 175.54 71.04 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.539 0.685 . . . . 0.0 110.811 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 170.96 15.5 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -113.55 164.74 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.9 p -118.32 142.62 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.781 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.4 m-90 -108.52 158.15 17.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.79 172.76 14.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.595 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -37.43 -35.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 p -109.04 -179.9 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 t -49.4 -23.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.7 t-80 -37.82 119.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -127.3 114.78 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -133.61 145.03 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.4 m80 -59.26 131.63 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.31 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -38.56 -55.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 41.7 m -44.25 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.686 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.5 tp -49.63 -54.67 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.51 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.98 -36.84 75.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.686 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.57 -36.16 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -101.29 -24.64 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 84.3 t60 -81.4 -10.0 59.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -115.96 -63.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -45.61 122.85 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 52' ' ' ALA . 6.2 mp0 -78.86 -3.87 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.675 HG12 ' H ' ' A' ' 56' ' ' GLN . 1.4 t -72.24 178.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.675 ' H ' HG12 ' A' ' 55' ' ' VAL . 55.8 mm-40 -49.15 164.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.51 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -87.72 -18.53 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.8 m80 -38.06 133.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 1.1 m -35.46 153.27 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.641 0.734 . . . . 0.0 110.824 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.74 -7.05 20.05 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.3 mtm -134.01 -73.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 2.5 p -63.32 161.95 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -89.07 -3.18 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -73.93 138.28 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 8.1 tt0 -51.79 111.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.741 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.33 119.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -118.58 123.75 45.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -74.44 60.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 ttmm -50.48 155.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.162 0 CA-C-O 120.668 0.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 44.54 47.94 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.6 p -130.49 145.49 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 122.17 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -100.08 115.8 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -104.55 1.25 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -91.1 37.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.55 135.84 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.522 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 7.9 t -44.54 166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.43 -6.1 25.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.66 -45.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 p -136.39 15.91 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 42.44 54.3 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.499 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 2.8 tpp -97.48 135.79 38.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -67.29 124.68 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.726 ' CD1' HD22 ' A' ' 32' ' ' LEU . 22.3 m-85 -55.88 -19.63 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.45 14.23 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.51 -160.49 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 14' ' ' MET . 16.6 p -110.71 170.9 7.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 70.8 m -77.27 143.91 70.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' ASP . 53.1 Cg_endo -69.79 -89.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.286 . . . . 0.0 112.319 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' PRO . 7.8 t0 -38.42 -34.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 17.5 t -50.09 133.32 23.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -77.36 0.76 21.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.4 p 38.03 82.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.95 33.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.42 -138.73 2.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.451 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.2 -11.48 14.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -90.56 89.34 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.8 m -142.4 51.67 2.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.8 Cg_endo -69.7 -173.73 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.923 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -120.6 166.98 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -110.2 152.75 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.923 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 19.7 m-90 -115.03 150.62 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -105.45 172.68 19.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -38.18 -34.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 1.7 p -109.12 178.81 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -49.35 -25.28 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 4.9 t60 -38.15 114.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.52 121.43 38.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.7 m-85 -139.98 143.92 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 4.9 m80 -55.99 125.43 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -37.58 -65.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -49.98 -50.34 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.75 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.8 tp -50.05 -54.13 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.626 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.09 -43.1 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -36.23 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.98 -38.03 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.716 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.58 -25.45 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t60 -80.51 -11.87 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.34 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 33.0 mm-40 -130.78 172.64 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.23 15.43 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 53' ' ' GLN . 1.8 m -58.19 -178.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -42.06 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -19.3 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' CYS . 49.0 m80 -41.7 131.17 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -32.8 145.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.8 Cg_endo -69.63 -25.94 28.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 ttm -104.36 -69.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.632 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 3.2 m -68.94 -172.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -119.38 15.41 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -96.04 153.88 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -55.69 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.716 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.8 t-105 -37.92 120.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.42 127.14 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.81 60.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -49.42 148.65 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.094 0 CA-C-O 120.694 0.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -167.83 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 p -159.5 134.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.66 128.43 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.41 113.11 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.74 11.82 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 38.9 tt0 -84.51 9.71 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.52 131.61 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 4.4 t -45.25 170.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.9 -16.17 6.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.3 -43.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 p -136.78 9.86 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 46.36 57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.3 tpp -105.13 135.31 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.91 122.05 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 25.9 m-85 -50.43 -23.84 2.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -89.91 25.06 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.2 -175.73 21.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.73 162.05 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.546 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 80.0 m -84.41 143.77 42.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.788 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.39 -44.54 8.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -39.89 118.18 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' CE ' ' N ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -113.53 105.92 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' N ' ' CE ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -150.2 157.67 37.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 114.51 3.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.396 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.75 160.7 18.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ASP . 12.1 t0 -98.41 -33.15 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.793 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ASP . 49.8 t0 -38.09 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.615 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 42.1 t 38.94 81.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 172.41 12.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -112.01 169.29 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.664 ' N ' HD12 ' A' ' 32' ' ' LEU . 12.0 p -125.0 149.26 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 11.7 m-90 -112.77 152.43 29.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.76 165.84 13.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.74 -28.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.69 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -65.02 -8.99 18.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 1.8 t-80 -61.11 124.83 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.8 m -126.34 128.04 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 5.9 m-85 -142.74 146.97 34.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 6.6 m80 -59.43 127.8 33.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.06 -69.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.615 ' CD2' ' HG ' ' A' ' 30' ' ' CYS . 6.1 m-70 -48.61 -51.44 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HG ' ' HD1' ' A' ' 42' ' ' HIS . 47.1 m -49.22 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.694 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -50.9 -54.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.636 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -40.92 -46.42 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.66 -36.14 73.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.694 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.37 -35.99 68.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.676 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -100.32 -24.79 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.15 -9.73 59.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -123.23 172.61 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -113.25 -0.27 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -38.53 -62.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.7 126.28 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 72.6 m80 -49.19 179.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.73 160.38 82.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.616 2.211 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -58.77 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.7 p -76.59 179.3 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.37 -32.52 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -38.29 138.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.5 pt-20 -55.1 107.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.676 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.7 t-105 -37.76 122.95 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.49 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 11.4 tppt? -126.52 124.68 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.56 60.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 30.7 ttpt -38.21 139.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.067 0 CA-C-O 120.663 0.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 p -168.91 -177.41 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.901 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.9 132.44 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.25 -15.81 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.81 117.7 33.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.38 17.2 24.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -98.25 31.72 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.02 127.18 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.569 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 1.4 t -49.79 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.84 -20.69 5.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.9 -47.79 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ARG . 24.5 p -132.74 20.87 4.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.04 47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 15' ' ' ALA . 5.4 tpt -103.8 132.81 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' H ' ' HE3' ' A' ' 14' ' ' MET . . . -53.58 127.23 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m-85 -48.41 -24.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -92.6 26.83 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.07 155.53 22.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.46 -169.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 158.58 38.43 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.629 0.728 . . . . 0.0 110.806 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -48.08 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.9 -2.24 32.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.53 165.65 13.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HG2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -116.46 -25.67 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.5 p 168.86 83.34 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HB2' ' CB ' ' A' ' 30' ' ' CYS . 54.4 Cg_endo -69.78 -42.63 3.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 -119.62 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.53 -11.55 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -96.01 59.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 46.6 t -164.4 52.75 0.31 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.617 0.722 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.2 Cg_endo -69.64 173.32 11.04 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -104.88 162.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -117.93 150.57 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.8 m-90 -113.89 154.76 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.21 171.6 19.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.57 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -40.26 -36.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -108.48 177.64 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' HIS . 69.7 m -42.75 -27.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.51 119.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -127.17 118.86 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.7 m-85 -137.86 144.85 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . 12.3 m80 -61.33 128.29 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.21 -62.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -50.49 -51.99 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.6 m -52.62 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.701 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.7 tp -49.02 -54.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.631 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.34 -45.99 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.67 -36.71 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.701 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.03 -36.83 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.681 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -100.07 -25.96 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t60 -78.68 -12.15 60.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.15 -53.55 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.7 177.96 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.513 ' OE1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -139.73 16.37 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.513 HG13 ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -111.25 -47.27 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -106.01 108.91 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -110.81 -25.92 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.0 m80 -39.05 125.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.1 t -34.59 143.54 0.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.69 -43.08 2.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.38 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 39' ' ' HIS . 63.1 mmm -74.84 -81.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -77.38 178.92 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -102.58 11.81 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -87.27 138.93 31.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -38.15 114.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.452 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -43.06 120.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 12.8 tppt? -120.87 126.13 49.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.61 60.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 4.8 tptm -54.46 145.42 18.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.093 0 CA-C-O 120.726 0.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -136.54 154.21 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 t -133.11 156.26 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.55 93.13 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -113.37 93.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -116.91 25.65 10.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.599 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -82.92 2.36 34.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 137.76 41.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 8.9 t -52.54 165.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.85 -9.95 31.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 12' ' ' CYS . 3.0 mt -84.02 -53.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' N ' HG22 ' A' ' 11' ' ' ILE . 21.3 p -132.75 25.36 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.86 50.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.6 tpt -95.2 132.98 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 132.26 48.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CD1' HD22 ' A' ' 32' ' ' LEU . 19.3 m-85 -62.62 -13.17 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -86.44 14.84 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.18 173.0 29.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 p -83.85 166.85 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.49 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 71.7 m -61.82 142.86 94.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -89.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.41 -38.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 19.8 t -42.48 138.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -5.1 39.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 27' ' ' GLY . 2.4 t 39.92 82.35 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.759 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.608 ' O ' HG12 ' A' ' 25' ' ' VAL . . . -162.85 -151.99 6.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -108.12 -2.18 19.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.74 89.57 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.72 63.36 39.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.713 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.936 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -121.95 174.48 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -120.33 147.17 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.936 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.1 m-90 -109.43 158.33 18.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.19 169.58 13.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.19 -31.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 -179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 7.2 p -112.86 179.45 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.9 p -47.67 -24.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.632 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 10.5 t60 -39.28 113.08 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.89 117.87 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.632 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 11.1 m-85 -138.91 142.11 38.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 46' ' ' ILE . 19.5 m80 -57.94 128.73 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.58 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -49.97 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.682 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.1 tp -46.56 -54.76 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.643 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.64 -41.89 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -35.18 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.682 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.07 -36.61 75.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -99.28 -25.3 14.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 45.5 t-80 -82.95 -10.75 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.29 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -116.5 158.28 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.72 6.58 23.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -56.87 -177.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.551 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.6 pm0 -39.55 120.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . 4.3 pp0? -72.7 -3.94 28.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 49.6 m80 -46.06 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.49 159.54 85.22 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 -28.43 25.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.759 2.306 . . . . 0.0 112.322 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.88 -73.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 p -59.55 170.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -93.3 -21.19 19.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -54.69 137.28 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' TRP . 2.6 tt0 -53.66 110.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.667 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.54 119.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 tppt? -119.05 125.56 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.67 60.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 17.2 tptt -41.13 156.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.095 0 CA-C-O 120.639 0.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -85.59 -63.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.7 124.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.34 157.39 17.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -124.16 110.68 14.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -120.1 2.09 10.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.83 26.91 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -131.61 150.98 51.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.9 t -57.58 170.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.4 -8.93 24.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.49 HG22 ' SG ' ' A' ' 12' ' ' CYS . 17.2 mt -102.95 -31.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' SG ' HG22 ' A' ' 11' ' ' ILE . 75.6 m -133.37 6.31 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.69 63.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.504 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 12.7 mmm -107.39 -171.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.79 118.85 36.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.722 ' CD1' HD22 ' A' ' 32' ' ' LEU . 23.2 m-85 -51.22 -21.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -93.18 22.48 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.0 -142.2 3.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 p -125.5 -162.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.14 151.35 43.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.678 0.752 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.51 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -75.87 -16.42 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.32 140.05 22.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -121.79 -41.6 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -37.38 142.36 0.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 111.056 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.95 -48.36 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -41.07 97.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.31 -31.61 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.44 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.0 m 38.97 66.92 2.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.2 14.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.293 . . . . 0.0 112.282 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.98 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -112.99 171.93 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' CA ' ' A' ' 43' ' ' MET . 3.4 t -115.14 141.02 33.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.98 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.0 m-90 -108.18 155.0 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -109.47 170.88 14.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -37.91 -32.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -113.04 -174.88 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 p -48.89 -23.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 9.9 t60 -37.7 122.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -138.07 113.54 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.61 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.5 m-85 -132.0 152.09 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 14' ' ' MET . 2.0 m80 -63.62 127.73 32.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.54 ' CA ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.72 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' MET . 17.0 m80 -32.6 -52.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.84 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.1 tp -46.3 -55.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -42.03 -43.59 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.04 -33.29 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.684 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.27 -36.0 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.647 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -101.58 -26.28 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t60 -83.79 -8.81 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . -121.37 -62.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -64.81 123.75 20.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -85.85 1.52 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 56' ' ' GLN . 2.0 t -64.99 174.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.658 ' H ' HG12 ' A' ' 55' ' ' VAL . 78.6 mm-40 -40.54 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.457 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -50.52 -21.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' CYS . 70.1 m80 -40.54 138.83 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' HIS . 11.4 t -33.01 134.36 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.673 0.749 . . . . 0.0 110.807 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.68 -3.16 11.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.616 2.211 . . . . 0.0 112.402 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.6 mtm -127.36 -53.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -81.77 -173.82 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -119.52 13.13 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -104.39 157.59 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -49.53 118.74 2.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.472 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -46.86 118.58 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 2.1 tppp? -115.93 122.96 46.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -74.69 60.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -56.79 153.39 10.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.101 0 CA-C-O 120.594 -0.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -72.82 145.12 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.84 133.62 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.9 133.08 48.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -90.04 37.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' GLU . 42.1 m-20 -108.8 20.74 18.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 51.9 mt-10 34.27 64.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 129.16 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -43.72 167.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.94 -15.67 9.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.861 HD12 ' CD2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -78.61 -50.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.19 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 11' ' ' ILE . 9.1 p -131.12 10.71 4.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 46.55 56.58 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.7 tpp -104.3 134.71 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.19 126.09 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.6 m-30 -54.3 -19.04 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.56 6.36 15.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.38 177.99 21.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' A' ' 25' ' ' VAL . 1.8 m -89.08 -172.4 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 1.8 m -76.57 151.6 82.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -19.87 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -98.23 131.47 44.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' CD ' ' HD3' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -108.71 112.58 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.908 HG21 ' HB2' ' A' ' 30' ' ' CYS . 2.1 p -129.25 88.88 49.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.466 ' HD3' ' CD ' ' A' ' 24' ' ' LYS . 54.6 Cg_endo -69.7 64.69 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.39 -156.16 12.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.414 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -119.97 0.16 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -92.61 63.14 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.908 ' HB2' HG21 ' A' ' 25' ' ' VAL . 50.6 t -157.56 47.7 0.29 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.559 0.695 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.3 Cg_endo -69.76 171.33 14.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.589 2.193 . . . . 0.0 112.3 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.658 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -102.29 171.72 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -116.33 150.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.658 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 11.1 m-90 -112.74 151.62 30.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.39 165.01 14.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' N ' ' HB2' ' A' ' 69' ' ' LYS . 1.8 pt20 -40.77 -28.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.28 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.36 -9.89 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -60.33 121.45 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 3.4 m -122.35 125.86 46.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.861 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.2 m-85 -139.27 151.51 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.462 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.1 m80 -65.76 127.37 31.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -35.56 -64.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -52.52 -50.95 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 m -50.34 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.708 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -51.57 -54.28 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.627 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.23 -47.27 1.63 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.43 71.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.708 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -56.11 -33.29 64.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -103.82 -24.05 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.568 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.39 -8.66 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -42.3 165.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 -22.89 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 56' ' ' GLN . 1.5 m -58.45 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.595 ' N ' HG23 ' A' ' 55' ' ' VAL . 54.6 mm-40 -64.96 156.28 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.664 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -72.67 -14.56 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 44.2 m80 -38.47 136.43 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.4 m -37.03 156.34 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -26.08 27.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 mtm -117.31 -58.21 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 m -67.52 175.26 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -3.59 19.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -78.54 151.92 32.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' TRP . 52.7 mt-10 -57.04 108.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.737 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.9 t-105 -37.77 123.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -125.64 131.25 52.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.5 m-85 -74.54 60.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 9.5 tptt -57.06 154.76 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.166 0 CA-C-O 120.595 -0.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -72.86 110.26 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.385 . . . . 0.0 110.892 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 3' ' ' VAL . 0.5 OUTLIER -112.69 6.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.76 0.79 36.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -107.39 100.32 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.25 8.41 33.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.48 6.93 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.9 129.57 56.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 13.3 t -42.23 164.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.89 -14.47 22.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD12 ' HD2' ' A' ' 41' ' ' PHE . 2.8 mt -77.81 -54.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.735 0.303 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 13' ' ' ARG . 19.6 p -132.94 31.33 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 29.83 50.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -97.03 132.64 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.18 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.8 m-85 -47.38 -24.33 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -89.76 24.49 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.51 -167.57 11.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.17 155.01 26.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 58.2 m -53.71 143.27 39.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.72 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.36 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.282 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -72.54 -23.45 60.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 5.5 t -78.15 124.53 28.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 25' ' ' VAL . 22.4 ttpt -64.75 -11.38 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.3 p 40.33 82.4 0.23 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.719 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -3.12 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.413 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.91 -130.69 1.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -118.62 -2.15 11.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.3 84.27 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 42.4 t -158.23 56.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.646 0.736 . . . . 0.0 110.978 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.73 171.9 13.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -115.46 169.62 9.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -126.74 151.28 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -113.89 159.76 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -113.04 176.63 17.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.4 -29.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.916 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLY . 21.2 p -117.55 -175.84 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.9 m -50.72 -24.76 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.557 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 4.8 t60 -38.18 114.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -124.54 117.97 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 8.4 m-85 -134.29 141.35 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 26.0 m80 -55.22 130.85 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -36.93 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -40.35 -55.01 2.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.3 m -45.84 -80.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -47.55 -54.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.26 -42.57 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.92 -37.7 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.6 -38.26 71.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -97.48 -24.22 15.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 2.3 t60 -81.86 -10.86 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 -40.63 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -67.22 145.87 54.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -133.13 13.34 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -50.57 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -139.01 147.31 41.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -26.23 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.8 m80 -38.44 137.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -30.94 145.77 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.75 . . . . 0.0 110.836 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.73 -2.79 10.74 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 0.0 112.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.45 -23.77 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 64.63 10.62 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -97.33 -175.63 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -65.11 90.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.644 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.44 118.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.522 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -117.15 126.5 52.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.65 60.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 5.5 tptt -49.9 149.04 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.088 0 CA-C-O 120.647 0.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -64.58 108.34 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.63 161.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 30.81 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -64.41 123.82 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -117.5 2.7 12.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -90.05 24.61 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.41 120.56 39.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 2.9 t -46.48 173.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.36 -3.97 35.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 41' ' ' PHE . 6.4 mt -106.9 -27.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.95 4.16 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 42.79 29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -100.31 138.86 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -60.86 141.15 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 43.8 m-85 -65.05 -16.21 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -13.93 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.35 -152.69 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' CYS . 15.5 p -126.62 168.23 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -36.18 137.45 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.891 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' CYS . 53.4 Cg_endo -69.82 -89.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -36.27 -32.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.587 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.8 t -43.84 103.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -49.78 -22.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 23' ' ' CYS . 6.5 t 74.16 80.38 0.16 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -14.03 35.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.66 -143.04 3.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.44 -0.17 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 88.73 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.3 m -152.25 48.28 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.4 Cg_endo -69.75 -167.7 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -127.78 159.49 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' O ' HD12 ' A' ' 32' ' ' LEU . 6.5 p -116.4 154.51 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.554 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 9.3 m-90 -113.3 161.49 17.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.24 171.76 14.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.54 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.527 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 2.6 pm0 -39.04 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.527 ' SG ' ' NE2' ' A' ' 36' ' ' GLN . 8.2 p -114.9 174.32 6.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' HIS . 41.7 t -43.64 -26.6 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 5.7 t-80 -37.94 121.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -126.1 132.4 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.632 ' CD2' HD12 ' A' ' 11' ' ' ILE . 10.5 m-85 -149.81 147.97 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.7 m80 -68.35 133.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.94 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.4 m170 -37.77 -53.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 4.3 m -48.86 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.707 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.1 tp -48.04 -55.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.02 -45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -36.74 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.707 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.649 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -102.78 -23.95 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.8 t60 -82.04 -10.28 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.9 -58.58 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -112.62 156.86 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -114.94 -23.03 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.56 -44.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.7 122.07 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.75 -23.92 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' CYS . 46.7 m80 -40.64 143.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -35.25 150.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -45.78 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.8 mmm -92.52 -40.66 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.48 179.01 5.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 5.29 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -82.42 -178.13 6.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.98 102.42 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.9 119.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.57 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -116.05 126.51 53.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 60.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 tppp? -62.14 157.71 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.058 0 CA-C-O 120.671 0.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -127.7 118.67 24.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 5' ' ' ASN . 8.7 p -166.77 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.17 9.75 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.477 ' H ' HG22 ' A' ' 3' ' ' VAL . 25.4 m120 -135.04 159.87 40.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 52.46 34.5 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.9 -14.29 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.69 139.6 46.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -176.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.01 -29.39 1.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.33 -40.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.32 9.04 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 35.73 58.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -119.87 128.97 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.41 128.29 9.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.85 ' CD1' HD13 ' A' ' 32' ' ' LEU . 22.9 m-85 -54.31 -19.44 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.93 17.46 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 165.14 24.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.74 173.27 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 1.6 m -79.16 152.64 76.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -46.82 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.01 6.99 26.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 1.4 t -125.19 105.94 9.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.01 19.86 19.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -37.31 142.86 0.37 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.084 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 68.76 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.77 149.67 7.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -93.15 -7.21 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.29 92.38 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.1 t -151.64 73.95 8.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 171.04 15.27 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -111.0 176.82 4.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 46' ' ' ILE . 4.7 p -120.79 144.28 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -107.18 155.92 19.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.4 -175.78 21.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -49.23 -32.33 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.25 179.57 3.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -44.88 -25.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 5.2 t60 -39.82 121.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -133.84 116.42 15.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m-85 -131.28 152.01 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.7 m80 -62.32 127.7 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.98 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.6 m80 -35.5 -52.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 27.2 m -51.84 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -47.03 -55.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.831 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.6 -48.47 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.831 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.71 -37.58 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -54.8 -36.84 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -99.44 -25.16 14.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.1 t60 -79.8 -10.88 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.75 -59.01 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -81.23 105.86 12.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.84 -21.36 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.696 HG23 ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -43.17 -46.23 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.696 ' OE1' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -140.36 142.92 35.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -110.45 -29.65 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.1 m80 -40.79 135.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -34.88 143.32 0.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.5 Cg_endo -69.71 -19.17 36.69 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.411 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 16.6 mmm -104.01 -50.97 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.5 p -107.03 -176.14 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -96.76 -26.27 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.87 112.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.649 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.9 t-105 -40.04 120.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -119.45 122.99 42.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -74.57 60.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 tppp? -54.98 152.86 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.939 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.119 0 CA-C-O 120.651 0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -99.96 -34.35 10.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.0 m -64.04 156.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.18 79.17 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -70.73 115.93 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -121.01 7.85 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.26 7.14 23.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.01 134.14 49.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -43.15 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.04 -12.66 13.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.535 HG22 ' SG ' ' A' ' 12' ' ' CYS . 97.6 mt -94.69 -34.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 11' ' ' ILE . 3.2 m -138.71 19.26 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 36.13 32.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' CYS . 3.0 tpp -88.05 130.21 35.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -55.18 119.85 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.4 m-85 -47.04 -25.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.97 30.54 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.8 173.65 26.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -79.23 157.7 27.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.4 m -83.74 155.16 65.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -48.45 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.3 . . . . 0.0 112.263 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -85.44 -1.14 56.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.61 115.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.648 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.23 -31.86 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -172.61 83.87 0.43 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 0.0 111.079 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 144.27 53.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.75 -117.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.92 -15.31 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -116.61 80.36 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 34.5 m -154.21 49.11 0.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.3 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.848 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -99.83 179.5 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 22.2 t -138.16 140.64 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.848 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.0 m-90 -107.64 166.81 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -125.05 164.18 18.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLY . 3.9 pm0 -37.44 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.3 p -109.75 178.56 4.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.4 t -47.77 -25.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.646 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-160 -44.88 139.06 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 13.4 p -161.18 116.1 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 22.6 m-85 -134.21 165.45 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' ILE . 44.0 m80 -64.49 132.77 50.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.87 -62.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 8.0 m80 -54.54 -52.37 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.8 m -46.78 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 8.2 tp -54.49 -53.1 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.728 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -42.2 -51.41 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.728 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.67 -42.26 98.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -50.24 -43.31 52.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.714 HD22 ' HD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -92.3 -23.93 19.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.7 OUTLIER -81.75 -6.26 58.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.81 -66.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.14 136.9 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -118.96 37.24 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -44.25 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.96 138.33 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -24.97 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 90.2 m-70 -48.0 129.83 14.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' HG ' ' C ' ' A' ' 62' ' ' CYS . 24.4 p -35.6 153.15 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.552 0.691 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.519 ' SD ' ' CZ ' ' A' ' 41' ' ' PHE . 9.9 mtp -63.16 -66.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' C ' ' HG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -91.98 -172.54 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -111.15 12.15 21.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.74 153.19 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 15.2 pt-20 -53.31 106.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.714 ' HD1' HD22 ' A' ' 50' ' ' LEU . 4.6 t-105 -38.15 119.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.1 mmmm -117.87 123.5 46.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.66 ' HD1' HG11 ' A' ' 33' ' ' VAL . 4.9 m-85 -75.45 55.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 156.87 20.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 CA-C-O 120.681 0.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -57.84 160.69 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.835 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -81.54 87.09 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.65 122.47 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -138.45 169.31 18.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 40.78 33.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.44 37.41 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 144.2 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -56.63 179.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.62 -29.97 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.665 HD12 ' HD2' ' A' ' 41' ' ' PHE . 6.2 mt -88.28 -26.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.081 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 13' ' ' ARG . 80.5 m -132.49 5.58 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 5.4 ppt_? 32.91 37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.1 mtp -85.45 -175.74 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 120.28 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.845 ' CD1' HD13 ' A' ' 32' ' ' LEU . 23.5 m-85 -50.68 -21.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -87.42 16.97 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.87 -154.83 7.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' O ' ' CE ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -115.22 -174.7 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.856 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -81.09 155.28 72.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -48.5 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.59 2.193 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LYS . 8.1 m-20 -84.51 2.28 41.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 t -47.14 92.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -36.13 -33.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 93.4 t -161.41 93.66 1.41 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 53.8 Cg_endo -69.76 133.32 25.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.612 2.208 . . . . 0.0 112.384 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.21 -119.74 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -118.45 -0.09 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.26 72.85 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.4 m -157.5 49.2 0.35 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.1 Cg_endo -69.78 -166.03 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.845 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -122.48 176.55 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 41' ' ' PHE . 15.0 p -123.65 144.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 10.7 m-90 -108.41 156.59 19.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.37 174.27 17.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.12 -32.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.59 -178.55 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -47.51 -24.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 9.6 t60 -38.14 116.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -128.65 113.52 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.902 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.665 ' HD2' HD12 ' A' ' 11' ' ' ILE . 9.5 m-85 -133.61 138.97 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 3.8 m80 -54.7 128.57 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.38 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 43' ' ' MET . 10.1 m80 -33.35 -52.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.68 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 tp -47.5 -55.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.842 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.39 -48.7 1.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.02 -38.54 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -53.68 -39.17 64.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.657 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -96.16 -25.65 15.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 1.1 t60 -78.48 -11.35 59.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -49.77 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 2.2 mm100 -71.78 176.93 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -25.65 7.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -66.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -38.08 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -114.67 -29.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' CYS . 53.4 m80 -42.61 132.28 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -33.89 148.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.71 -9.14 25.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.451 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -128.22 -66.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 4.4 p -75.27 160.47 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -15.0 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 62' ' ' CYS . 3.3 mp0 -60.82 148.92 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.0 pt-20 -61.04 112.49 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -37.9 120.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 124.53 44.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.64 60.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' GLU . 5.9 tptm -54.91 145.24 20.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' LYS . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.088 0 CA-C-O 120.629 0.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -120.14 128.46 53.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.47 112.06 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.11 17.21 14.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -96.54 126.95 42.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.34 1.88 12.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.51 5.13 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -125.5 141.12 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 1.9 t -46.0 172.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.509 ' N ' ' CE1' ' A' ' 41' ' ' PHE . . . -117.76 -21.87 4.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.544 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -86.23 -32.06 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -141.52 13.05 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 68.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.405 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 7.2 tpp -117.93 131.7 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.63 120.06 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.83 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.2 m-30 -50.43 -22.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -90.03 21.55 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.96 -139.89 4.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 4.0 m -138.99 174.9 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -82.48 147.13 55.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.94 9.27 12.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -130.3 150.15 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 126.67 53.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 25' ' ' VAL . 13.0 t -107.17 81.27 0.95 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.059 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.88 -2.87 10.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.9 -13.9 1.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.02 -11.23 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' CYS . 26.7 t0 47.45 51.46 13.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' SG ' ' CG2' ' A' ' 25' ' ' VAL . 31.8 p -38.11 101.46 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 170.56 16.28 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -110.7 -175.1 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 15.3 t -137.5 140.31 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.702 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 16.3 m-90 -104.25 157.91 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.78 177.56 18.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.42 -28.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.69 -171.94 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' HIS . 68.4 m -49.37 -33.19 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-80 -37.83 125.84 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 34' ' ' TRP . 52.6 t -148.63 115.8 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 21.4 m-85 -127.39 159.65 33.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 12.0 m80 -59.61 129.89 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.464 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.51 -64.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -52.56 -51.93 57.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 m -47.75 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.9 tp -53.86 -54.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.774 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -40.14 -49.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.774 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -38.65 86.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -54.18 -39.73 66.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -96.74 -22.89 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.9 OUTLIER -83.01 -8.85 59.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -57.02 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.59 ' CB ' HG22 ' A' ' 55' ' ' VAL . 19.0 mp0 -125.16 147.89 48.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -80.0 4.25 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.59 HG22 ' CB ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -54.59 -177.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -41.16 103.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.586 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -62.63 -12.61 24.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 68.3 m80 -38.3 134.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -35.69 153.05 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.76 -6.92 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.278 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.2 ptm -149.07 -56.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.57 -29.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' MET . 0.3 OUTLIER 70.06 6.84 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -107.69 -177.53 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' TRP . 14.3 mt-10 -66.22 95.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.693 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.4 t-105 -37.87 119.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -117.49 125.38 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -74.68 60.38 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 144.0 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.127 0 CA-C-O 120.663 0.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 68.68 44.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.962 0.41 . . . . 0.0 110.902 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.16 121.11 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.32 125.6 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -153.71 118.01 4.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -116.29 -4.62 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.02 -11.75 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.9 125.06 53.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 5.7 t -44.06 168.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.76 -6.73 30.3 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD12 ' HD2' ' A' ' 41' ' ' PHE . 16.8 mt -99.01 -33.89 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 14.4 m -136.23 22.48 3.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.6 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -84.16 139.12 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.26 126.39 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 16.8 m-85 -51.16 -21.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.23 -15.08 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.83 -142.84 5.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -130.65 175.12 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 m -41.94 156.18 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASP . 54.3 Cg_endo -69.71 -89.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' PRO . 16.3 t70 -37.12 -34.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.1 m -56.43 89.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.15 37.58 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.64 HG13 ' HD2' ' A' ' 26' ' ' PRO . 72.8 t -93.34 138.24 23.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.64 ' HD2' HG13 ' A' ' 25' ' ' VAL . 53.7 Cg_endo -69.79 66.01 1.8 Allowed 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.684 2.256 . . . . 0.0 112.282 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.16 130.74 2.72 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.86 -2.46 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.23 54.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.5 m -137.6 56.71 12.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 52.7 Cg_endo -69.89 177.24 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.288 . . . . 0.0 112.285 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.945 HD13 ' SG ' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -111.56 -176.11 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 41' ' ' PHE . 7.3 p -126.87 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.589 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 26.8 m-90 -112.69 153.25 27.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -108.94 176.47 19.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.7 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 27.4 p -112.26 -176.63 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' HIS . 10.7 p -52.55 -20.36 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t-80 -37.34 124.77 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.945 ' SG ' HD13 ' A' ' 32' ' ' LEU . 53.7 t -134.63 103.15 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 6.1 m-85 -124.04 146.33 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 7.2 m80 -58.32 123.15 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -37.88 -64.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -45.81 -52.58 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.2 m -55.32 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -44.37 -54.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -44.37 -46.31 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -36.95 82.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -57.1 -43.01 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 66' ' ' TRP . 1.1 tp -91.12 -23.37 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -82.09 -12.17 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 -33.33 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -114.95 174.5 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -136.3 -41.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.06 -54.65 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -97.21 116.21 28.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -118.52 -30.66 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.2 m80 -39.57 132.4 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -31.3 144.4 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -61.21 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.4 m -66.96 -177.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -115.16 -1.91 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -87.73 148.05 24.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -50.31 114.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.746 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.4 t-105 -37.84 121.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 7.5 tppt? -121.97 121.08 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.7 m-85 -74.56 60.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.05 156.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.172 0 CA-C-O 120.636 0.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -94.02 144.04 25.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 3' ' ' VAL . 38.7 t -118.03 27.67 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.89 97.9 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.75 111.92 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.76 11.09 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 pt-20 -84.91 4.28 34.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.77 129.69 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -41.75 164.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.69 -10.0 29.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mt -87.21 -48.06 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.8 p -135.34 29.4 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.81 38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.541 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 8.0 tpp -81.22 138.73 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 124.31 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 7' ' ' GLU . 29.9 m-85 -58.57 -17.16 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.34 -1.7 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.72 -152.6 8.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.2 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 96.7 m -38.84 149.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.91 -89.78 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -40.93 -37.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 8.9 t -47.96 125.79 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -8.47 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.3 p 39.69 82.62 0.22 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -4.92 15.01 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.08 -127.24 1.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -115.62 -2.97 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.05 61.01 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.2 m -156.77 48.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.1 Cg_endo -69.79 172.51 12.53 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -98.64 160.47 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -114.49 144.5 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.676 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 14.6 m-90 -107.53 157.57 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.88 172.96 14.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -36.7 -33.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.913 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.7 p -112.55 179.25 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -48.65 -23.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.676 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 11.4 t60 -37.98 115.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -122.18 116.7 24.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.676 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.9 m-85 -137.08 144.35 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 3.2 m80 -57.41 127.93 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -35.79 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -47.96 -55.35 10.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.3 m -43.39 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.699 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.6 tp -51.89 -54.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.878 HD23 ' HD2' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -38.91 -44.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.878 ' HD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.87 -43.05 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.699 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -50.23 -31.31 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -105.63 -25.04 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.5 t60 -82.79 -3.84 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.11 -27.03 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.35 138.89 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -100.48 -21.47 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.44 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.01 -47.02 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 25.1 mp0 -126.45 120.52 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -27.4 11.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.6 m80 -41.5 136.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -36.28 152.08 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.1 Cg_endo -69.89 -34.01 15.0 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.7 ptp -109.93 -58.98 1.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.25 171.07 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -111.34 29.3 7.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -116.45 156.76 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 23.3 mt-10 -54.37 105.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.715 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.59 119.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.556 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -115.24 125.1 52.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.3 56.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -43.62 133.24 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' LYS . 4.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.128 0 CA-C-O 120.578 -0.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -121.73 21.53 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.07 108.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.06 116.97 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -124.19 93.09 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -96.41 24.29 5.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -93.79 43.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.14 137.09 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 10.8 t -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.73 -9.02 36.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' CYS . 2.6 mt -85.92 -53.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.1 p -132.85 28.29 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.46 40.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 4.4 tpp -84.73 136.92 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 125.16 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.1 m-85 -52.92 -22.39 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.47 22.41 2.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.66 -178.56 17.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.99 -178.82 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.49 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 70.5 m -84.2 141.93 40.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.584 0.707 . . . . 0.0 110.805 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -89.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.94 -44.88 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' HG13 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -38.93 113.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -100.04 24.18 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG13 ' SG ' ' A' ' 23' ' ' CYS . 5.8 m -38.02 149.47 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -4.02 13.16 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -141.94 -160.29 8.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -119.44 -7.86 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.93 98.83 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 p -157.58 82.52 3.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.92 15.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.61 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -100.97 159.86 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 41' ' ' PHE . 4.7 p -114.54 146.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.61 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 22.4 m-90 -111.34 155.04 23.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -109.88 173.31 16.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.546 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 2.9 pm0 -38.08 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.546 ' SG ' ' NE2' ' A' ' 36' ' ' GLN . 22.6 p -114.24 -178.5 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -50.72 -22.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 9.4 t60 -38.68 115.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -122.87 114.92 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.633 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 9.7 m-85 -136.23 142.91 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.2 m80 -58.61 129.43 42.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.84 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -38.53 -55.45 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 52.8 m -46.01 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.2 tp -48.2 -55.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.802 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.71 -51.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.802 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.61 -40.76 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -51.99 -36.65 50.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -97.96 -20.23 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.961 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 8.6 m80 -87.71 -5.44 58.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HB3' HG13 ' A' ' 55' ' ' VAL . 17.6 mm-40 -114.32 145.84 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.7 4.2 16.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.716 HG23 ' N ' ' A' ' 56' ' ' GLN . 2.3 m -57.56 -157.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.716 ' N ' HG23 ' A' ' 55' ' ' VAL . 38.2 mm-40 -51.8 112.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -71.81 -4.57 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.417 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 58.5 m80 -46.56 174.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 159.73 82.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.9 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -111.56 -43.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.82 150.78 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -18.39 39.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -63.26 139.29 58.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 4.4 tt0 -51.48 109.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.87 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.5 t-105 -37.36 122.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.41 124.21 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -74.65 60.14 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -38.48 149.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.127 0 CA-C-O 120.666 0.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -133.99 68.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.864 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 t -104.47 70.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.5 82.64 3.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -96.73 99.61 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.78 21.14 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.96 19.15 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.75 142.55 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.0 t -50.8 173.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 -22.34 6.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 3.7 mt -74.02 -46.23 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' MET . 21.2 p -140.65 29.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 4.5 ppt_? 33.72 35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.9 tpp -77.4 140.14 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.67 124.8 25.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 26.0 m-85 -54.09 -22.94 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -94.06 27.49 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.51 -167.62 11.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.86 -157.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -122.6 164.37 27.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.77 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -40.77 -28.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.63 106.87 16.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.804 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -123.51 112.68 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 24' ' ' LYS . 2.9 t -167.63 133.73 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.07 22.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.36 32.85 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' CYS . 15.5 t0 -116.75 -27.21 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER 37.99 30.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' ASP . 15.2 m -36.74 98.87 0.17 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -165.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -138.16 163.9 30.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.4 p -116.04 145.52 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 19.0 m-90 -109.7 153.75 23.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.1 179.64 23.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 3.0 pm0 -45.19 -30.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' SG ' ' NE2' ' A' ' 36' ' ' GLN . 22.6 p -115.14 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 p -45.83 -26.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 6.7 t60 -37.96 112.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -119.73 120.59 37.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.607 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 10.3 m-85 -139.67 139.58 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' ILE . 22.3 m80 -54.1 129.94 36.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.55 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -40.95 -54.44 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 49.1 m -46.63 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.693 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -48.69 -55.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.42 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.857 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.8 -37.73 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.16 -37.72 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.27 -24.58 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 76.8 t60 -80.86 -10.53 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.92 -10.17 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -122.76 127.07 48.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -108.63 24.6 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.31 -72.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.84 132.32 38.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -26.84 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.0 m80 -41.72 132.82 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.3 m -34.25 147.06 0.13 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.79 -34.39 14.58 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.86 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -72.7 -174.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -120.07 27.93 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -107.69 155.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -55.14 106.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.719 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -39.08 121.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -124.56 128.62 49.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.5 60.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -45.96 150.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.097 0 CA-C-O 120.593 -0.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t 56.53 45.99 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.58 124.96 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.69 126.8 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -86.7 123.1 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.49 12.5 36.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -104.4 44.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.15 121.6 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -51.0 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.0 -17.79 4.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 -37.51 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.21 12.97 6.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mmt180 38.24 35.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 5.4 tpp -97.66 137.58 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -59.41 126.55 28.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 24.4 m-85 -47.86 -28.23 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.75 32.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.64 157.28 26.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -54.07 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -120.54 143.02 35.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' CYS . 53.8 Cg_endo -69.8 -89.29 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' PRO . 3.8 m-20 -35.35 -34.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 67.8 m -62.11 -92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 78.86 34.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' HD2' ' A' ' 26' ' ' PRO . 12.9 p -80.12 137.17 53.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HD2' HG23 ' A' ' 25' ' ' VAL . 53.9 Cg_endo -69.8 66.34 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.381 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.85 131.76 1.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.546 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.05 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.16 93.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 t -173.0 70.34 0.39 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 171.37 14.65 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -106.89 163.32 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.7 p -115.24 143.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 13.0 m-90 -107.93 157.37 18.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 170.31 14.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -40.63 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' HIS . 20.1 p -110.85 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -39.8 -29.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t60 -37.75 119.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -134.69 116.46 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.476 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 10.4 m-85 -133.48 157.29 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' HG22 ' A' ' 46' ' ' ILE . 10.4 m80 -66.19 126.07 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.69 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 43' ' ' MET . 12.7 m170 -36.78 -53.31 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.1 m -51.1 -80.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -46.36 -55.43 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.872 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.872 ' HE2' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.696 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -52.59 -35.58 54.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -100.99 -23.01 14.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -82.56 -7.92 59.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB3' ' OE1' ' A' ' 53' ' ' GLN . . . -87.28 -68.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -89.41 167.06 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.496 ' OE1' HG13 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -131.71 17.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.496 HG13 ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -104.23 -51.16 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.32 98.83 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -29.92 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' CYS . 45.8 m80 -40.77 130.89 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.505 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -34.06 142.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.76 -26.67 27.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.62 2.213 . . . . 0.0 112.359 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.5 ttp -98.44 -65.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 26.0 p -81.36 -176.99 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.93 3.39 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -84.73 138.63 32.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 18.7 tt0 -39.08 110.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.752 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.94 120.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 3.9 tppp? -121.45 122.93 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.72 60.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 14.6 tptt -40.96 157.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.894 0.378 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.85 133.72 55.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -54.66 -179.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.99 -24.62 3.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 3.5 mt -81.32 -36.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -131.0 10.74 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 34.39 62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 2.4 ttm -121.61 156.6 32.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -73.03 125.47 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.55 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.1 m-85 -51.49 -21.32 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.34 23.24 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.27 -178.67 15.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 14' ' ' MET . 9.7 m -100.68 139.01 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' CYS . 84.2 m -38.28 154.05 0.14 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.867 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 14.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.75 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -122.74 165.48 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.51 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.7 p -119.92 143.22 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 11.4 m-90 -105.68 166.92 10.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.99 175.98 16.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -41.08 -35.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.945 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -114.64 -176.33 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -44.54 -26.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -37.77 119.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -135.25 113.13 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.623 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.8 m-85 -128.53 159.31 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.2 m80 -68.71 124.81 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -36.61 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' MET . 5.7 m170 -36.35 -52.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.4 m -52.77 -80.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.681 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.6 tp -44.86 -55.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.642 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.79 -45.83 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.04 -36.08 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -97.74 -24.74 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.78 -10.7 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 -36.98 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.12 104.75 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.98 -32.62 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.75 -71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -104.81 135.05 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -27.2 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.2 m80 -45.49 132.94 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -33.05 147.9 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.78 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.53 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -127.25 -65.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 p -82.94 158.06 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -86.69 13.48 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -89.18 146.02 25.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' TRP . 1.6 tt0 -53.03 108.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.66 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.81 120.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -120.29 122.9 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HD1' HG21 ' A' ' 33' ' ' VAL . 2.6 m-85 -74.62 60.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 8.8 ttmt -53.95 158.19 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.57 131.9 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -53.04 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.12 -26.78 2.87 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.11 -39.32 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -127.82 11.72 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' CYS . 1.7 ttm -95.86 144.68 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.41 136.52 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 32' ' ' LEU . 19.6 m-85 -60.66 -14.38 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.403 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.2 m-80 -89.54 17.88 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.07 165.71 25.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -88.43 138.26 31.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.1 m -44.05 152.53 0.47 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.603 0.716 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.5 Cg_endo -69.74 170.97 15.32 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 16' ' ' PHE . 1.1 pt? -102.57 -167.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 1.9 p -138.57 141.84 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 18.6 m-90 -105.3 154.16 20.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.44 174.81 16.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.68 -28.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -105.74 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.0 m -67.28 -8.08 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.744 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -61.94 130.19 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.65 115.48 14.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.744 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 3.7 m-85 -122.91 149.55 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.2 m80 -59.14 125.26 22.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.77 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -36.36 -52.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 48.9 m -53.61 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.691 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -44.18 -55.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.8 -43.45 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.03 -36.84 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -56.58 -39.44 73.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -96.69 -26.89 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 82.9 t60 -77.59 -13.59 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.96 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.65 146.19 47.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.89 -11.53 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' OE1' ' A' ' 56' ' ' GLN . 2.8 t -51.79 -66.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.793 ' OE1' HG12 ' A' ' 55' ' ' VAL . 2.3 mp0 -115.4 142.37 46.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.511 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -114.17 -21.43 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.7 m80 -38.82 130.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.497 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -34.39 150.41 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.636 0.731 . . . . 0.0 110.847 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 -32.03 19.45 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -102.19 -60.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 12.7 p -83.73 171.01 13.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -92.82 -23.69 18.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.32 138.57 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -49.29 114.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -44.27 121.2 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.7 mmmm -121.1 124.6 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.3 56.94 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.48 148.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.56 125.77 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -42.45 164.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 -9.33 24.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 12' ' ' CYS . 1.8 mt -83.94 -51.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' N ' HG22 ' A' ' 11' ' ' ILE . 12.8 p -127.55 4.01 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 54.75 50.01 16.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.475 ' HE1' ' O ' ' A' ' 19' ' ' CYS . 8.1 ttm -101.73 152.75 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.34 126.76 31.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.2 m-85 -51.39 -21.85 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -92.13 25.2 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 178.05 18.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' O ' ' HE1' ' A' ' 14' ' ' MET . 26.4 p -100.51 141.39 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' CYS . 93.3 m -38.09 154.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.539 0.685 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 170.96 15.5 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.781 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -113.55 164.74 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.9 p -118.32 142.62 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.781 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.4 m-90 -108.52 158.15 17.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.79 172.76 14.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.595 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -37.43 -35.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 p -109.04 -179.9 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 t -49.4 -23.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.7 t-80 -37.82 119.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -127.3 114.78 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -133.61 145.03 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.4 m80 -59.26 131.63 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.31 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -38.56 -55.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 41.7 m -44.25 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.686 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.5 tp -49.63 -54.67 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.51 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.98 -36.84 75.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.686 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.57 -36.16 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -101.29 -24.64 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 84.3 t60 -81.4 -10.0 59.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -115.96 -63.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -45.61 122.85 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 52' ' ' ALA . 1.8 mp0 -78.86 -3.87 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.675 HG12 ' H ' ' A' ' 56' ' ' GLN . 1.4 t -72.24 178.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.675 ' H ' HG12 ' A' ' 55' ' ' VAL . 55.8 mm-40 -49.15 164.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.51 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -87.72 -18.53 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.8 m80 -38.06 133.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 1.1 m -35.46 153.27 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.641 0.734 . . . . 0.0 110.824 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.74 -7.05 20.05 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.3 mtm -134.01 -73.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 2.5 p -63.32 161.95 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -89.07 -3.18 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -73.93 138.28 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 8.1 tt0 -51.79 111.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.741 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.33 119.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -118.58 123.75 45.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -74.44 60.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 ttmm -50.48 155.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.55 135.84 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.522 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 7.9 t -44.54 166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.43 -6.1 25.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.66 -45.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 p -136.39 15.91 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 42.44 54.3 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.499 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 2.8 tpp -97.48 135.79 38.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -67.29 124.68 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.726 ' CD1' HD22 ' A' ' 32' ' ' LEU . 22.3 m-85 -55.88 -19.63 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.45 14.23 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.51 -160.49 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 14' ' ' MET . 16.6 p -110.71 170.9 7.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.8 m -77.27 143.91 70.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.286 . . . . 0.0 112.319 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.8 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.8 Cg_endo -69.7 -173.73 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.923 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -120.6 166.98 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -110.2 152.75 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.923 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 19.7 m-90 -115.03 150.62 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -105.45 172.68 19.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -38.18 -34.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.683 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 1.7 p -109.12 178.81 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -49.35 -25.28 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -38.15 114.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.52 121.43 38.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -139.98 143.92 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 4.9 m80 -55.99 125.43 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -37.58 -65.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -49.98 -50.34 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.75 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.8 tp -50.05 -54.13 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.626 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.09 -43.1 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -36.23 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.98 -38.03 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.716 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.58 -25.45 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t60 -80.51 -11.87 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.34 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 33.0 mm-40 -130.78 172.64 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.23 15.43 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 53' ' ' GLN . 1.8 m -58.19 -178.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -42.06 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -19.3 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' CYS . 49.0 m80 -41.7 131.17 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -32.8 145.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.8 Cg_endo -69.63 -25.94 28.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 ttm -104.36 -69.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.683 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 3.2 m -68.94 -172.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -119.38 15.41 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -96.04 153.88 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -55.69 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.716 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.8 t-105 -37.92 120.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.42 127.14 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.81 60.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -49.42 148.65 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 38.9 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.52 131.61 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 4.4 t -45.25 170.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.9 -16.17 6.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.3 -43.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 p -136.78 9.86 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 46.36 57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.3 tpp -105.13 135.31 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.91 122.05 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 25.9 m-85 -50.43 -23.84 2.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -89.91 25.06 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.2 -175.73 21.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.73 162.05 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.546 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 80.0 m -84.41 143.77 42.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.788 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 42.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 172.41 12.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -112.01 169.29 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.664 ' N ' HD12 ' A' ' 32' ' ' LEU . 12.0 p -125.0 149.26 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 11.7 m-90 -112.77 152.43 29.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.76 165.84 13.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.74 -28.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.69 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -65.02 -8.99 18.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 1.8 t-80 -61.11 124.83 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.8 m -126.34 128.04 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 5.9 m-85 -142.74 146.97 34.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 6.6 m80 -59.43 127.8 33.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.06 -69.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 5.0 m170 -48.61 -51.44 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HG ' ' HD1' ' A' ' 42' ' ' HIS . 47.1 m -49.22 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.694 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -50.9 -54.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.636 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -40.92 -46.42 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.66 -36.14 73.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.694 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.37 -35.99 68.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.676 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -100.32 -24.79 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.15 -9.73 59.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.23 172.61 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -113.25 -0.27 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -38.53 -62.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 2.2 pm0 -142.7 126.28 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 72.6 m80 -49.19 179.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.73 160.38 82.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.616 2.211 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -58.77 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.7 p -76.59 179.3 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.37 -32.52 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -38.29 138.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.5 pt-20 -55.1 107.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.676 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.7 t-105 -37.76 122.95 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.49 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 11.4 tppt? -126.52 124.68 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.56 60.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 30.7 ttpt -38.21 139.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.02 127.18 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.569 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 1.4 t -49.79 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.84 -20.69 5.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.9 -47.79 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ARG . 24.5 p -132.74 20.87 4.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.04 47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 15' ' ' ALA . 5.4 tpt -103.8 132.81 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' H ' ' HE3' ' A' ' 14' ' ' MET . . . -53.58 127.23 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m-85 -48.41 -24.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -92.6 26.83 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.07 155.53 22.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.46 -169.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 158.58 38.43 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.629 0.728 . . . . 0.0 110.806 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.343 0.237 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 46.6 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.617 0.722 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.2 Cg_endo -69.64 173.32 11.04 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -104.88 162.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -117.93 150.57 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.8 m-90 -113.89 154.76 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.21 171.6 19.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.57 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -40.26 -36.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -108.48 177.64 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' HIS . 69.7 m -42.75 -27.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.51 119.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -127.17 118.86 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.7 m-85 -137.86 144.85 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . 12.3 m80 -61.33 128.29 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.21 -62.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -50.49 -51.99 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.6 m -52.62 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.701 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.7 tp -49.02 -54.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.631 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.34 -45.99 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.67 -36.71 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.701 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.03 -36.83 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.681 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -100.07 -25.96 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t60 -78.68 -12.15 60.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.15 -53.55 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.7 177.96 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.652 ' NE2' HG13 ' A' ' 55' ' ' VAL . 1.1 pp0? -139.73 16.37 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.652 HG13 ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -111.25 -47.27 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -106.01 108.91 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -25.92 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.0 m80 -39.05 125.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.1 t -34.59 143.54 0.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.69 -43.08 2.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.38 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 39' ' ' HIS . 63.1 mmm -74.84 -81.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -77.38 178.92 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -102.58 11.81 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -87.27 138.93 31.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -38.15 114.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.452 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -43.06 120.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 12.8 tppt? -120.87 126.13 49.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.61 60.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 4.8 tptm -54.46 145.42 18.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.599 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 137.76 41.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 8.9 t -52.54 165.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.85 -9.95 31.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 12' ' ' CYS . 3.0 mt -84.02 -53.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' N ' HG22 ' A' ' 11' ' ' ILE . 21.3 p -132.75 25.36 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.86 50.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.6 tpt -95.2 132.98 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 132.26 48.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CD1' HD22 ' A' ' 32' ' ' LEU . 19.3 m-85 -62.62 -13.17 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -86.44 14.84 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.18 173.0 29.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 p -83.85 166.85 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.82 142.86 94.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.596 0.713 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.936 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -121.95 174.48 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -120.33 147.17 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.936 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.1 m-90 -109.43 158.33 18.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.19 169.58 13.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.19 -31.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 -179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 7.2 p -112.86 179.45 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.9 p -47.67 -24.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.3 t-80 -39.28 113.08 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.89 117.87 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 11.1 m-85 -138.91 142.11 38.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 46' ' ' ILE . 19.5 m80 -57.94 128.73 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.58 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -49.97 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.682 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.1 tp -46.56 -54.76 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.643 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.64 -41.89 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -35.18 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.682 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.07 -36.61 75.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -99.28 -25.3 14.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 85.6 t60 -82.95 -10.75 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.29 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -116.5 158.28 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -84.72 6.58 23.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -56.87 -177.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -39.55 120.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -72.7 -3.94 28.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 49.6 m80 -46.06 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.49 159.54 85.22 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 -28.43 25.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.759 2.306 . . . . 0.0 112.322 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.88 -73.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 p -59.55 170.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -93.3 -21.19 19.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -54.69 137.28 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' TRP . 2.6 tt0 -53.66 110.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.667 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.54 119.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 tppt? -119.05 125.56 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.67 60.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 17.2 tptt -41.13 156.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -131.61 150.98 51.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.9 t -57.58 170.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.4 -8.93 24.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.49 HG22 ' SG ' ' A' ' 12' ' ' CYS . 17.2 mt -102.95 -31.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' SG ' HG22 ' A' ' 11' ' ' ILE . 75.6 m -133.37 6.31 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.69 63.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.504 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 12.7 mmm -107.39 -171.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.79 118.85 36.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.722 ' CD1' HD22 ' A' ' 32' ' ' LEU . 23.2 m-85 -51.22 -21.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -93.18 22.48 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.0 -142.2 3.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 p -125.5 -162.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.14 151.35 43.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.678 0.752 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.2 14.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.293 . . . . 0.0 112.282 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.98 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -112.99 171.93 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' CA ' ' A' ' 43' ' ' MET . 3.4 t -115.14 141.02 33.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.98 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.0 m-90 -108.18 155.0 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -109.47 170.88 14.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -37.91 -32.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -113.04 -174.88 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 p -48.89 -23.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.7 122.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -138.07 113.54 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -132.0 152.09 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 14' ' ' MET . 2.0 m80 -63.62 127.73 32.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.54 ' CA ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.72 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' MET . 17.0 m80 -32.6 -52.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.84 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.1 tp -46.3 -55.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -42.03 -43.59 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.04 -33.29 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.684 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.27 -36.0 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.647 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -101.58 -26.28 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t60 -83.79 -8.81 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . -121.37 -62.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -64.81 123.75 20.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -85.85 1.52 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 56' ' ' GLN . 2.0 t -64.99 174.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.658 ' H ' HG12 ' A' ' 55' ' ' VAL . 28.0 mm100 -40.54 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.457 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -50.52 -21.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' CYS . 70.1 m80 -40.54 138.83 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' HIS . 11.4 t -33.01 134.36 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.673 0.749 . . . . 0.0 110.807 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.68 -3.16 11.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.616 2.211 . . . . 0.0 112.402 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.6 mtm -127.36 -53.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -81.77 -173.82 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -119.52 13.13 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -104.39 157.59 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -49.53 118.74 2.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.472 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -46.86 118.58 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 2.1 tppp? -115.93 122.96 46.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -74.69 60.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -56.79 153.39 10.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 51.9 mt-10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 129.16 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -43.72 167.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.94 -15.67 9.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.861 HD12 ' CD2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -78.61 -50.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.19 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 11' ' ' ILE . 9.1 p -131.12 10.71 4.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 46.55 56.58 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.7 tpp -104.3 134.71 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.19 126.09 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.6 m-30 -54.3 -19.04 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.56 6.36 15.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.38 177.99 21.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -89.08 -172.4 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.57 151.6 82.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.559 0.695 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.3 Cg_endo -69.76 171.33 14.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.589 2.193 . . . . 0.0 112.3 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.658 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -102.29 171.72 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -116.33 150.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.658 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 11.1 m-90 -112.74 151.62 30.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.39 165.01 14.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.438 ' N ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -40.77 -28.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.28 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.36 -9.89 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -60.33 121.45 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 3.4 m -122.35 125.86 46.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.861 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.2 m-85 -139.27 151.51 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.462 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.1 m80 -65.76 127.37 31.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -35.56 -64.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -52.52 -50.95 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 m -50.34 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.708 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -51.57 -54.28 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.627 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.23 -47.27 1.63 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.43 71.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.708 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -56.11 -33.29 64.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -103.82 -24.05 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.568 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.39 -8.66 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -42.3 165.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 -22.89 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 56' ' ' GLN . 1.5 m -58.45 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.595 ' N ' HG23 ' A' ' 55' ' ' VAL . 54.6 mm-40 -64.96 156.28 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.664 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -72.67 -14.56 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 44.2 m80 -38.47 136.43 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.4 m -37.03 156.34 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -26.08 27.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 mtm -117.31 -58.21 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 m -67.52 175.26 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -3.59 19.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -78.54 151.92 32.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' TRP . 52.7 mt-10 -57.04 108.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.737 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.9 t-105 -37.77 123.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -125.64 131.25 52.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.5 m-85 -74.54 60.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 9.5 tptt -57.06 154.76 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.871 0.367 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.9 129.57 56.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 13.3 t -42.23 164.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.89 -14.47 22.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.522 HD12 ' HD2' ' A' ' 41' ' ' PHE . 2.8 mt -77.81 -54.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.735 0.303 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 13' ' ' ARG . 19.6 p -132.94 31.33 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 29.83 50.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -97.03 132.64 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.18 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.8 m-85 -47.38 -24.33 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -89.76 24.49 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.51 -167.57 11.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.17 155.01 26.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -53.71 143.27 39.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.72 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.282 . . . . 0.0 112.36 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 42.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.646 0.736 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.73 171.9 13.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -115.46 169.62 9.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -126.74 151.28 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -113.89 159.76 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -113.04 176.63 17.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.4 -29.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.916 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLY . 21.2 p -117.55 -175.84 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.9 m -50.72 -24.76 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -38.18 114.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -124.54 117.97 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.636 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.4 m-85 -134.29 141.35 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 26.0 m80 -55.22 130.85 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -36.93 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -40.35 -55.01 2.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.3 m -45.84 -80.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -47.55 -54.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.26 -42.57 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.92 -37.7 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.6 -38.26 71.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -97.48 -24.22 15.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 2.3 t60 -81.86 -10.86 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 -40.63 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -67.22 145.87 54.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.13 13.34 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -50.57 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.01 147.31 41.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -26.23 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.8 m80 -38.44 137.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -30.94 145.77 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.75 . . . . 0.0 110.836 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.73 -2.79 10.74 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 0.0 112.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.45 -23.77 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 64.63 10.62 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -97.33 -175.63 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -65.11 90.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.644 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.44 118.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.522 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -117.15 126.5 52.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.65 60.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 5.5 tptt -49.9 149.04 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.41 120.56 39.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 2.9 t -46.48 173.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.36 -3.97 35.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 41' ' ' PHE . 6.4 mt -106.9 -27.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.95 4.16 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 42.79 29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -100.31 138.86 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -60.86 141.15 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 43.8 m-85 -65.05 -16.21 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -13.93 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.35 -152.69 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' CYS . 15.5 p -126.62 168.23 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -36.18 137.45 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.891 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.4 Cg_endo -69.75 -167.7 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -127.78 159.49 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.603 ' O ' HD12 ' A' ' 32' ' ' LEU . 6.5 p -116.4 154.51 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.554 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 9.3 m-90 -113.3 161.49 17.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.24 171.76 14.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.54 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.725 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.04 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' GLY . 8.2 p -114.9 174.32 6.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' HIS . 41.7 t -43.64 -26.6 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 5.7 t-80 -37.94 121.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -126.1 132.4 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.632 ' CD2' HD12 ' A' ' 11' ' ' ILE . 10.5 m-85 -149.81 147.97 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.7 m80 -68.35 133.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.94 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.4 m170 -37.77 -53.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 4.3 m -48.86 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.707 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.1 tp -48.04 -55.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.02 -45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -36.74 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.707 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.649 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -102.78 -23.95 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.8 t60 -82.04 -10.28 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.9 -58.58 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -112.62 156.86 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -114.94 -23.03 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.56 -44.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.7 122.07 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.75 -23.92 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' CYS . 46.7 m80 -40.64 143.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -35.25 150.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -45.78 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.8 mmm -92.52 -40.66 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.48 179.01 5.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 5.29 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -82.42 -178.13 6.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.98 102.42 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.9 119.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.57 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -116.05 126.51 53.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 60.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 tppp? -62.14 157.71 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.69 139.6 46.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -176.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.01 -29.39 1.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.33 -40.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.32 9.04 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 35.73 58.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -119.87 128.97 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.41 128.29 9.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.85 ' CD1' HD13 ' A' ' 32' ' ' LEU . 22.9 m-85 -54.31 -19.44 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.93 17.46 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 165.14 24.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.74 173.27 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.16 152.64 76.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 171.04 15.27 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -111.0 176.82 4.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 46' ' ' ILE . 4.7 p -120.79 144.28 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -107.18 155.92 19.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.4 -175.78 21.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -49.23 -32.33 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.25 179.57 3.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -44.88 -25.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.4 t-80 -39.82 121.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -133.84 116.42 15.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -131.28 152.01 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.7 m80 -62.32 127.7 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.98 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.6 m80 -35.5 -52.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 27.2 m -51.84 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -47.03 -55.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.831 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.6 -48.47 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.831 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.71 -37.58 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -54.8 -36.84 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -99.44 -25.16 14.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.1 t60 -79.8 -10.88 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.75 -59.01 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -81.23 105.86 12.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -89.84 -21.36 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.696 HG23 ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -43.17 -46.23 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.696 ' OE1' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -140.36 142.92 35.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -29.65 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.1 m80 -40.79 135.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -34.88 143.32 0.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.5 Cg_endo -69.71 -19.17 36.69 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.411 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 16.6 mmm -104.01 -50.97 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.5 p -107.03 -176.14 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -96.76 -26.27 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.87 112.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.649 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.9 t-105 -40.04 120.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.434 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -119.45 122.99 42.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -74.57 60.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 tppp? -54.98 152.86 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.939 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.956 0.408 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.01 134.14 49.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -43.15 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.04 -12.66 13.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.535 HG22 ' SG ' ' A' ' 12' ' ' CYS . 97.6 mt -94.69 -34.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 11' ' ' ILE . 3.2 m -138.71 19.26 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 36.13 32.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' CYS . 3.0 tpp -88.05 130.21 35.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -55.18 119.85 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.4 m-85 -47.04 -25.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.97 30.54 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.8 173.65 26.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -79.23 157.7 27.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.4 m -83.74 155.16 65.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.3 . . . . 0.0 112.263 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 34.5 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.3 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.848 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -99.83 179.5 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 22.2 t -138.16 140.64 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.848 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.0 m-90 -107.64 166.81 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -125.05 164.18 18.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.521 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.44 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.3 p -109.75 178.56 4.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.4 t -47.77 -25.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.646 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-160 -44.88 139.06 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 13.4 p -161.18 116.1 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 22.6 m-85 -134.21 165.45 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' ILE . 44.0 m80 -64.49 132.77 50.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.87 -62.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 8.0 m80 -54.54 -52.37 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.8 m -46.78 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 8.2 tp -54.49 -53.1 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.728 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -42.2 -51.41 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.728 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.67 -42.26 98.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -50.24 -43.31 52.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.714 HD22 ' HD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -92.3 -23.93 19.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.7 OUTLIER -81.75 -6.26 58.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.81 -66.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.14 136.9 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -118.96 37.24 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -44.25 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.96 138.33 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -24.97 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 78.5 m80 -48.0 129.83 14.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' HG ' ' C ' ' A' ' 62' ' ' CYS . 24.4 p -35.6 153.15 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.552 0.691 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.519 ' SD ' ' CZ ' ' A' ' 41' ' ' PHE . 9.9 mtp -63.16 -66.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' C ' ' HG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -91.98 -172.54 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -111.15 12.15 21.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.74 153.19 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 15.2 pt-20 -53.31 106.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.714 ' HD1' HD22 ' A' ' 50' ' ' LEU . 4.6 t-105 -38.15 119.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.1 mmmm -117.87 123.5 46.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.66 ' HD1' HG11 ' A' ' 33' ' ' VAL . 4.9 m-85 -75.45 55.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 156.87 20.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 144.2 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -56.63 179.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.62 -29.97 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.665 HD12 ' HD2' ' A' ' 41' ' ' PHE . 6.2 mt -88.28 -26.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.081 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 13' ' ' ARG . 80.5 m -132.49 5.58 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 5.4 ppt_? 32.91 37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.1 mtp -85.45 -175.74 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 120.28 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.845 ' CD1' HD13 ' A' ' 32' ' ' LEU . 23.5 m-85 -50.68 -21.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -87.42 16.97 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.87 -154.83 7.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' O ' ' CE ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -115.22 -174.7 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.856 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -81.09 155.28 72.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.59 2.193 . . . . 0.0 112.334 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.651 0.738 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.1 Cg_endo -69.78 -166.03 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.845 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -122.48 176.55 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 41' ' ' PHE . 15.0 p -123.65 144.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 10.7 m-90 -108.41 156.59 19.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.37 174.27 17.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.12 -32.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.59 -178.55 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -47.51 -24.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -38.14 116.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -128.65 113.52 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.902 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.667 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -133.61 138.97 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 3.8 m80 -54.7 128.57 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.38 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 43' ' ' MET . 10.1 m80 -33.35 -52.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.68 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 tp -47.5 -55.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.842 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.39 -48.7 1.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.02 -38.54 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -53.68 -39.17 64.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.657 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -96.16 -25.65 15.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 1.1 t60 -78.48 -11.35 59.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -49.77 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 2.2 mm100 -71.78 176.93 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -25.65 7.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -66.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -38.08 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -114.67 -29.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' CYS . 53.4 m80 -42.61 132.28 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -33.89 148.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.71 -9.14 25.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.539 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -128.22 -66.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 4.4 p -75.27 160.47 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -15.0 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 62' ' ' CYS . 3.3 mp0 -60.82 148.92 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.0 pt-20 -61.04 112.49 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -37.9 120.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 124.53 44.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.64 60.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' GLU . 5.9 tptm -54.91 145.24 20.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' LYS . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.79 0.328 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -125.5 141.12 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 1.9 t -46.0 172.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.509 ' N ' ' CE1' ' A' ' 41' ' ' PHE . . . -117.76 -21.87 4.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.544 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -86.23 -32.06 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -141.52 13.05 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 68.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.405 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 7.2 tpp -117.93 131.7 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.63 120.06 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.83 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.2 m-30 -50.43 -22.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -90.03 21.55 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.96 -139.89 4.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -138.99 174.9 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.48 147.13 55.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 170.56 16.28 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -110.7 -175.1 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 15.3 t -137.5 140.31 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.702 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 16.3 m-90 -104.25 157.91 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.78 177.56 18.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -28.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.69 -171.94 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' HIS . 68.4 m -49.37 -33.19 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-80 -37.83 125.84 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 34' ' ' TRP . 52.6 t -148.63 115.8 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 21.4 m-85 -127.39 159.65 33.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 12.0 m80 -59.61 129.89 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.464 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.51 -64.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -52.56 -51.93 57.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 m -47.75 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.9 tp -53.86 -54.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.774 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -40.14 -49.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.774 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -38.65 86.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -54.18 -39.73 66.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -96.74 -22.89 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.9 OUTLIER -83.01 -8.85 59.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -57.02 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.59 ' CB ' HG22 ' A' ' 55' ' ' VAL . 19.0 mp0 -125.16 147.89 48.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -80.0 4.25 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.59 HG22 ' CB ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -54.59 -177.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -41.16 103.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.586 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -62.63 -12.61 24.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 68.3 m80 -38.3 134.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -35.69 153.05 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.76 -6.92 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.278 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.2 ptm -149.07 -56.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.57 -29.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' MET . 0.3 OUTLIER 70.06 6.84 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -107.69 -177.53 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' TRP . 14.3 mt-10 -66.22 95.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.693 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.4 t-105 -37.87 119.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -117.49 125.38 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -74.68 60.38 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 144.0 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.882 0.372 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.9 125.06 53.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 5.7 t -44.06 168.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.76 -6.73 30.3 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD12 ' HD2' ' A' ' 41' ' ' PHE . 16.8 mt -99.01 -33.89 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 14.4 m -136.23 22.48 3.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.6 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -84.16 139.12 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.26 126.39 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 16.8 m-85 -51.16 -21.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.23 -15.08 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.83 -142.84 5.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -130.65 175.12 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 m -41.94 156.18 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 52.7 Cg_endo -69.89 177.24 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.288 . . . . 0.0 112.285 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.945 HD13 ' SG ' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -111.56 -176.11 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 41' ' ' PHE . 7.3 p -126.87 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.589 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 26.8 m-90 -112.69 153.25 27.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -108.94 176.47 19.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.7 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 27.4 p -112.26 -176.63 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' HIS . 10.7 p -52.55 -20.36 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t-80 -37.34 124.77 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.945 ' SG ' HD13 ' A' ' 32' ' ' LEU . 53.7 t -134.63 103.15 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 6.1 m-85 -124.04 146.33 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 7.2 m80 -58.32 123.15 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -37.88 -64.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -45.81 -52.58 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.2 m -55.32 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -44.37 -54.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -44.37 -46.31 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -36.95 82.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -57.1 -43.01 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 66' ' ' TRP . 1.1 tp -91.12 -23.37 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -82.09 -12.17 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 -33.33 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 24.9 mp0 -114.95 174.5 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 12.6 mm-40 -136.3 -41.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.06 -54.65 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -97.21 116.21 28.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -30.66 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.2 m80 -39.57 132.4 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -31.3 144.4 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -61.21 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.4 m -66.96 -177.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -115.16 -1.91 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -87.73 148.05 24.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -50.31 114.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.746 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.4 t-105 -37.84 121.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 7.5 tppt? -121.97 121.08 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.7 m-85 -74.56 60.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.05 156.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 pt-20 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 129.69 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -41.75 164.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.69 -10.0 29.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mt -87.21 -48.06 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.8 p -135.34 29.4 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.81 38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.541 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 8.0 tpp -81.22 138.73 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 124.31 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 7' ' ' GLU . 29.9 m-85 -58.57 -17.16 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.34 -1.7 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.72 -152.6 8.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.2 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.7 m -38.84 149.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.2 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.1 Cg_endo -69.79 172.51 12.53 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -98.64 160.47 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -114.49 144.5 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.676 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 14.6 m-90 -107.53 157.57 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.88 172.96 14.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -36.7 -33.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.913 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.7 p -112.55 179.25 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -48.65 -23.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.98 115.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -122.18 116.7 24.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.693 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.9 m-85 -137.08 144.35 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 3.2 m80 -57.41 127.93 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -35.79 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -47.96 -55.35 10.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.3 m -43.39 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.699 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.6 tp -51.89 -54.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.878 HD23 ' HD2' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -38.91 -44.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.878 ' HD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.87 -43.05 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.699 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -50.23 -31.31 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -105.63 -25.04 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.5 t60 -82.79 -3.84 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.11 -27.03 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.35 138.89 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.686 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -100.48 -21.47 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.44 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.01 -47.02 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 25.1 mp0 -126.45 120.52 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -27.4 11.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.6 m80 -41.5 136.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -36.28 152.08 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.1 Cg_endo -69.89 -34.01 15.0 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.7 ptp -109.93 -58.98 1.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.25 171.07 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -111.34 29.3 7.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -116.45 156.76 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 23.3 mt-10 -54.37 105.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.715 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.59 119.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.556 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -115.24 125.1 52.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.3 56.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -43.62 133.24 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' LYS . 4.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.14 137.09 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 10.8 t -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.73 -9.02 36.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' CYS . 2.6 mt -85.92 -53.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.1 p -132.85 28.29 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.46 40.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.44 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 4.4 tpp -84.73 136.92 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 125.16 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.1 m-85 -52.92 -22.39 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.47 22.41 2.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.66 -178.56 17.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.99 -178.82 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.5 m -84.2 141.93 40.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.584 0.707 . . . . 0.0 110.805 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.92 15.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.61 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -100.97 159.86 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 41' ' ' PHE . 4.7 p -114.54 146.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.61 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 22.4 m-90 -111.34 155.04 23.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -109.88 173.31 16.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.653 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.08 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLY . 22.6 p -114.24 -178.5 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -50.72 -22.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -38.68 115.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -122.87 114.92 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -136.23 142.91 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.2 m80 -58.61 129.43 42.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.84 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -38.53 -55.45 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 52.8 m -46.01 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.2 tp -48.2 -55.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.802 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.71 -51.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.802 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.61 -40.76 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -51.99 -36.65 50.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -97.96 -20.23 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.961 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.544 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 7.8 m-70 -87.71 -5.44 58.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HB3' HG13 ' A' ' 55' ' ' VAL . 17.6 mm-40 -114.32 145.84 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.455 ' NE2' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -79.7 4.2 16.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.716 HG23 ' N ' ' A' ' 56' ' ' GLN . 2.3 m -57.56 -157.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.716 ' N ' HG23 ' A' ' 55' ' ' VAL . 38.2 mm-40 -51.8 112.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -71.81 -4.57 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.417 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 58.5 m80 -46.56 174.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 159.73 82.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.9 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -111.56 -43.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.82 150.78 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -18.39 39.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -63.26 139.29 58.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 4.4 tt0 -51.48 109.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.87 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.5 t-105 -37.36 122.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.41 124.21 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -74.65 60.14 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -38.48 149.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.903 0.382 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.75 142.55 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.0 t -50.8 173.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 -22.34 6.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 3.7 mt -74.02 -46.23 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' MET . 21.2 p -140.65 29.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 4.5 ppt_? 33.72 35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.9 tpp -77.4 140.14 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.67 124.8 25.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 26.0 m-85 -54.09 -22.94 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -94.06 27.49 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.51 -167.62 11.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.86 -157.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -122.6 164.37 27.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.433 ' CB ' ' SG ' ' A' ' 20' ' ' CYS . 15.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.624 0.726 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -165.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -138.16 163.9 30.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.4 p -116.04 145.52 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 19.0 m-90 -109.7 153.75 23.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.1 179.64 23.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.68 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -45.19 -30.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -115.14 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 p -45.83 -26.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -37.96 112.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -119.73 120.59 37.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.3 m-85 -139.67 139.58 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' ILE . 22.3 m80 -54.1 129.94 36.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.55 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -40.95 -54.44 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 49.1 m -46.63 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.693 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -48.69 -55.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.857 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.42 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.857 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.8 -37.73 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.16 -37.72 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.27 -24.58 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 76.8 t60 -80.86 -10.53 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.92 -10.17 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -122.76 127.07 48.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -108.63 24.6 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.31 -72.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.84 132.32 38.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -26.84 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.0 m80 -41.72 132.82 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.3 m -34.25 147.06 0.13 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.79 -34.39 14.58 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.86 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -72.7 -174.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -120.07 27.93 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -107.69 155.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -55.14 106.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.719 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -39.08 121.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -124.56 128.62 49.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.5 60.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -45.96 150.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.801 0.334 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.15 121.6 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -51.0 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.0 -17.79 4.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 -37.51 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.21 12.97 6.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mmt180 38.24 35.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 5.4 tpp -97.66 137.58 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -59.41 126.55 28.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 24.4 m-85 -47.86 -28.23 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.75 32.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.64 157.28 26.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -54.07 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -120.54 143.02 35.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 171.37 14.65 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -106.89 163.32 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.7 p -115.24 143.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 13.0 m-90 -107.93 157.37 18.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 170.31 14.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -40.63 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' HIS . 20.1 p -110.85 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -39.8 -29.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.2 t-80 -37.75 119.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -134.69 116.46 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.4 m-85 -133.48 157.29 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' HG22 ' A' ' 46' ' ' ILE . 10.4 m80 -66.19 126.07 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.69 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 43' ' ' MET . 12.7 m170 -36.78 -53.31 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.1 m -51.1 -80.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -46.36 -55.43 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.872 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.872 ' HE2' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.696 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -52.59 -35.58 54.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -100.99 -23.01 14.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -82.56 -7.92 59.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . . . -87.28 -68.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.625 ' NE2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -89.41 167.06 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.642 ' NE2' HG13 ' A' ' 55' ' ' VAL . 1.2 pp0? -131.71 17.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG13 ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -104.23 -51.16 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.32 98.83 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -29.92 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' CYS . 45.8 m80 -40.77 130.89 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.505 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -34.06 142.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.76 -26.67 27.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.62 2.213 . . . . 0.0 112.359 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.5 ttp -98.44 -65.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 26.0 p -81.36 -176.99 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.93 3.39 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -84.73 138.63 32.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 18.7 tt0 -39.08 110.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.752 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.94 120.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 3.9 tppp? -121.45 122.93 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.72 60.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 14.6 tptt -40.96 157.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.11 0 CA-C-O 120.583 -0.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -102.81 0.5 32.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 4' ' ' ALA . 40.2 t -68.06 156.08 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.449 ' N ' HG12 ' A' ' 3' ' ' VAL . . . -101.72 88.1 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -104.71 116.13 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.66 9.87 32.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -84.3 0.21 49.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.85 133.72 55.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -54.66 -179.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.99 -24.62 3.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 3.5 mt -81.32 -36.72 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -131.0 10.74 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 34.39 62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 2.4 ttm -121.61 156.6 32.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -73.03 125.47 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.55 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.1 m-85 -51.49 -21.32 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.34 23.24 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.27 -178.67 15.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 14' ' ' MET . 9.7 m -100.68 139.01 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 84.2 m -38.28 154.05 0.14 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -48.34 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -82.23 6.61 16.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 1.5 t -121.62 115.65 23.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.09 26.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.15 144.27 98.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.76 61.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -116.18 -70.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -124.19 67.56 1.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 14.4 m -148.14 48.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.73 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.75 -165.87 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.563 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -122.74 165.48 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.51 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.7 p -119.92 143.22 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 11.4 m-90 -105.68 166.92 10.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.99 175.98 16.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -41.08 -35.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.945 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -114.64 -176.33 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 m -44.54 -26.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -37.77 119.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -135.25 113.13 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.623 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.8 m-85 -128.53 159.31 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.2 m80 -68.71 124.81 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -36.61 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' MET . 5.7 m170 -36.35 -52.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.4 m -52.77 -80.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.681 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.6 tp -44.86 -55.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.642 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.79 -45.83 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.04 -36.08 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.681 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -97.74 -24.74 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.78 -10.7 59.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 -36.98 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -111.12 104.75 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.98 -32.62 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.75 -71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -104.81 135.05 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -27.2 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.2 m80 -45.49 132.94 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -33.05 147.9 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.518 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.78 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.53 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -127.25 -65.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 p -82.94 158.06 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -86.69 13.48 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -89.18 146.02 25.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' TRP . 1.6 tt0 -53.03 108.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.66 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.81 120.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -120.29 122.9 41.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HD1' HG21 ' A' ' 33' ' ' VAL . 2.6 m-85 -74.62 60.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 8.8 ttmt -53.95 158.19 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.141 0 CA-C-O 120.64 0.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -98.91 13.74 31.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.017 0.436 . . . . 0.0 110.824 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -104.61 124.92 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.06 150.52 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -136.42 120.35 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.09 3.59 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -87.35 14.88 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.57 131.9 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' SG ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -53.04 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.12 -26.78 2.87 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -79.11 -39.32 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.082 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -127.82 11.72 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 35.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' CYS . 1.7 ttm -95.86 144.68 26.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.41 136.52 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.754 ' HB3' HD22 ' A' ' 32' ' ' LEU . 19.6 m-85 -60.66 -14.38 20.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.403 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.2 m-80 -89.54 17.88 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.07 165.71 25.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -88.43 138.26 31.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 13.1 m -44.05 152.53 0.47 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.603 0.716 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -77.24 0.98 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 43.6 t -97.79 110.03 22.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 26' ' ' PRO . 3.9 ptmt -58.91 -15.47 12.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.3 p 40.65 82.72 0.22 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.542 0.686 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 24' ' ' LYS . 53.3 Cg_endo -69.86 -3.12 11.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.01 -136.82 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -120.07 -0.29 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.86 97.4 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.4 m -156.43 50.77 0.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.5 Cg_endo -69.74 170.97 15.32 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.754 HD22 ' HB3' ' A' ' 16' ' ' PHE . 1.1 pt? -102.57 -167.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 41' ' ' PHE . 1.9 p -138.57 141.84 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 18.6 m-90 -105.3 154.16 20.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.44 174.81 16.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.68 -28.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.33 . . . . 0.0 110.95 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -105.74 -175.83 2.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.0 m -67.28 -8.08 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.744 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -61.94 130.19 44.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.65 115.48 14.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.744 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 3.7 m-85 -122.91 149.55 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.2 m80 -59.14 125.26 22.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.77 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -36.36 -52.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 48.9 m -53.61 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.691 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -44.18 -55.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.8 -43.45 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.03 -36.84 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -56.58 -39.44 73.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -96.69 -26.89 15.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 82.9 t60 -77.59 -13.59 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.9 -30.96 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.65 146.19 47.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.89 -11.53 14.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' OE1' ' A' ' 56' ' ' GLN . 2.8 t -51.79 -66.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.793 ' OE1' HG12 ' A' ' 55' ' ' VAL . 2.3 mp0 -115.4 142.37 46.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.511 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -114.17 -21.43 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.7 m80 -38.82 130.62 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.497 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -34.39 150.41 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.636 0.731 . . . . 0.0 110.847 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 -32.03 19.45 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -102.19 -60.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.497 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 12.7 p -83.73 171.01 13.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -92.82 -23.69 18.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.32 138.57 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -49.29 114.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -44.27 121.2 2.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.7 mmmm -121.1 124.6 45.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.3 56.94 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -47.48 148.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.125 0 CA-C-O 120.628 0.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -84.52 135.91 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 p -149.93 159.06 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.71 149.17 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -75.21 167.29 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 40.89 28.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.73 -1.76 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.56 125.77 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.9 t -42.45 164.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 -9.33 24.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 12' ' ' CYS . 1.8 mt -83.94 -51.16 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' N ' HG22 ' A' ' 11' ' ' ILE . 12.8 p -127.55 4.01 6.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 54.75 50.01 16.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.475 ' HE1' ' O ' ' A' ' 19' ' ' CYS . 8.1 ttm -101.73 152.75 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.34 126.76 31.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.2 m-85 -51.39 -21.85 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -92.13 25.2 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.46 178.05 18.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' O ' ' HE1' ' A' ' 14' ' ' MET . 26.4 p -100.51 141.39 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 93.3 m -38.09 154.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -48.38 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -79.48 2.66 21.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 11.0 t -108.37 73.0 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HE2' ' N ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -72.79 110.05 6.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG12 ' HD2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER -157.09 139.33 10.36 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.192 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.695 ' HD2' HG12 ' A' ' 25' ' ' VAL . 53.3 Cg_endo -69.65 -8.19 22.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -98.4 -166.97 31.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.423 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' CYS . 3.8 m-20 -119.61 -0.09 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -54.11 86.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 12.7 t 175.54 71.04 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.539 0.685 . . . . 0.0 110.811 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 170.96 15.5 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -113.55 164.74 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.9 p -118.32 142.62 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.781 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.4 m-90 -108.52 158.15 17.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.79 172.76 14.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.595 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -37.43 -35.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.6 p -109.04 -179.9 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 t -49.4 -23.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.698 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.7 t-80 -37.82 119.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -127.3 114.78 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -133.61 145.03 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.4 m80 -59.26 131.63 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.31 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -38.56 -55.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 41.7 m -44.25 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.686 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.5 tp -49.63 -54.67 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.773 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.51 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.773 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -69.98 -36.84 75.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.686 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.57 -36.16 66.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.741 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -101.29 -24.64 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 84.3 t60 -81.4 -10.0 59.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -115.96 -63.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -45.61 122.85 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 52' ' ' ALA . 1.8 mp0 -78.86 -3.87 46.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.675 HG12 ' H ' ' A' ' 56' ' ' GLN . 1.4 t -72.24 178.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.675 ' H ' HG12 ' A' ' 55' ' ' VAL . 55.8 mm-40 -49.15 164.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.51 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -87.72 -18.53 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.8 m80 -38.06 133.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 1.1 m -35.46 153.27 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.641 0.734 . . . . 0.0 110.824 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.74 -7.05 20.05 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.3 mtm -134.01 -73.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.43 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 2.5 p -63.32 161.95 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -89.07 -3.18 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -73.93 138.28 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 8.1 tt0 -51.79 111.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.741 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.33 119.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -118.58 123.75 45.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -74.44 60.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 36' ' ' GLN . 1.5 ttmm -50.48 155.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.162 0 CA-C-O 120.668 0.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 44.54 47.94 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.827 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.6 p -130.49 145.49 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 122.17 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -100.08 115.8 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -104.55 1.25 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -91.1 37.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.55 135.84 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.522 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 7.9 t -44.54 166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.43 -6.1 25.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.66 -45.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 0.0 111.204 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.6 p -136.39 15.91 3.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 42.44 54.3 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.499 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 2.8 tpp -97.48 135.79 38.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -67.29 124.68 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.726 ' CD1' HD22 ' A' ' 32' ' ' LEU . 22.3 m-85 -55.88 -19.63 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.45 14.23 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.51 -160.49 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' O ' ' CE ' ' A' ' 14' ' ' MET . 16.6 p -110.71 170.9 7.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 70.8 m -77.27 143.91 70.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' ASP . 53.1 Cg_endo -69.79 -89.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.73 2.286 . . . . 0.0 112.319 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' PRO . 7.8 t0 -38.42 -34.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 17.5 t -50.09 133.32 23.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -77.36 0.76 21.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.4 p 38.03 82.54 0.22 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -20.95 33.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.42 -138.73 2.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.451 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.2 -11.48 14.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -90.56 89.34 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.798 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.8 m -142.4 51.67 2.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.8 Cg_endo -69.7 -173.73 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.923 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -120.6 166.98 12.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -110.2 152.75 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.923 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 19.7 m-90 -115.03 150.62 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -105.45 172.68 19.69 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.549 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -38.18 -34.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.632 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 1.7 p -109.12 178.81 4.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -49.35 -25.28 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -38.15 114.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.554 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.52 121.43 38.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -139.98 143.92 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 4.9 m80 -55.99 125.43 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -37.58 -65.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -49.98 -50.34 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.75 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.8 tp -50.05 -54.13 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.626 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.09 -43.1 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -36.23 68.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.98 -38.03 72.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.716 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.58 -25.45 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t60 -80.51 -11.87 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.34 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 55' ' ' VAL . 33.0 mm-40 -130.78 172.64 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.23 15.43 13.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 53' ' ' GLN . 1.8 m -58.19 -178.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -42.06 97.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -19.3 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' CYS . 49.0 m80 -41.7 131.17 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -32.8 145.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.8 Cg_endo -69.63 -25.94 28.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.374 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.6 ttm -104.36 -69.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.632 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 3.2 m -68.94 -172.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -119.38 15.41 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -96.04 153.88 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -55.69 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.716 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.8 t-105 -37.92 120.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.42 127.14 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.81 60.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -49.42 148.65 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.094 0 CA-C-O 120.694 0.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -167.83 110.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 p -159.5 134.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.66 128.43 34.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.41 113.11 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.74 11.82 18.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 7' ' ' GLU . 38.9 tt0 -84.51 9.71 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.52 131.61 55.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 4.4 t -45.25 170.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.9 -16.17 6.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mt -80.3 -43.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 p -136.78 9.86 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 46.36 57.88 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.3 tpp -105.13 135.31 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.91 122.05 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 40' ' ' CYS . 25.9 m-85 -50.43 -23.84 2.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -89.91 25.06 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.2 -175.73 21.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 m -94.73 162.05 13.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.546 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 80.0 m -84.41 143.77 42.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.788 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -89.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.39 -44.54 8.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -39.89 118.18 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' CE ' ' N ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -113.53 105.92 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' N ' ' CE ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -150.2 157.67 37.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 0.0 111.124 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 114.51 3.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.396 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.75 160.7 18.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ASP . 12.1 t0 -98.41 -33.15 11.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.793 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ASP . 49.8 t0 -38.09 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 42.1 t 38.94 81.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 172.41 12.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -112.01 169.29 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.664 ' N ' HD12 ' A' ' 32' ' ' LEU . 12.0 p -125.0 149.26 29.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 32' ' ' LEU . 11.7 m-90 -112.77 152.43 29.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.76 165.84 13.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -40.74 -28.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.69 -175.29 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -65.02 -8.99 18.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 1.8 t-80 -61.11 124.83 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.8 m -126.34 128.04 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.651 ' CD1' ' NE2' ' A' ' 39' ' ' HIS . 5.9 m-85 -142.74 146.97 34.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 6.6 m80 -59.43 127.8 33.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.06 -69.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 5.0 m170 -48.61 -51.44 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HG ' ' HD1' ' A' ' 42' ' ' HIS . 47.1 m -49.22 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.694 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -50.9 -54.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.636 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -40.92 -46.42 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.66 -36.14 73.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.694 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.37 -35.99 68.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.676 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -100.32 -24.79 14.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.15 -9.73 59.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.64 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.23 172.61 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -113.25 -0.27 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.5 t -38.53 -62.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 2.2 pm0 -142.7 126.28 16.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 72.6 m80 -49.19 179.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.73 160.38 82.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.616 2.211 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -58.77 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.7 p -76.59 179.3 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.37 -32.52 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -38.29 138.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.5 pt-20 -55.1 107.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.676 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.7 t-105 -37.76 122.95 1.01 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.49 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 11.4 tppt? -126.52 124.68 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.56 60.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 30.7 ttpt -38.21 139.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.067 0 CA-C-O 120.663 0.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 p -168.91 -177.41 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.901 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p -135.9 132.44 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.25 -15.81 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -111.81 117.7 33.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.38 17.2 24.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -98.25 31.72 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.02 127.18 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.569 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 1.4 t -49.79 -179.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.84 -20.69 5.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mt -71.9 -47.79 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' ARG . 24.5 p -132.74 20.87 4.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.04 47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.413 ' HE3' ' H ' ' A' ' 15' ' ' ALA . 5.4 tpt -103.8 132.81 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' H ' ' HE3' ' A' ' 14' ' ' MET . . . -53.58 127.23 24.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.5 m-85 -48.41 -24.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -92.6 26.83 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.07 155.53 22.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.46 -169.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 158.58 38.43 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.629 0.728 . . . . 0.0 110.806 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -48.08 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.9 -2.24 32.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -90.53 165.65 13.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HG2' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -116.46 -25.67 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.5 p 168.86 83.34 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HB2' ' CB ' ' A' ' 30' ' ' CYS . 54.4 Cg_endo -69.78 -42.63 3.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 -119.62 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.53 -11.55 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -96.01 59.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 46.6 t -164.4 52.75 0.31 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.617 0.722 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.2 Cg_endo -69.64 173.32 11.04 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -104.88 162.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.936 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 32' ' ' LEU . 7.5 p -117.93 150.57 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 15.8 m-90 -113.89 154.76 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.21 171.6 19.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.57 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.4 OUTLIER -40.26 -36.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -108.48 177.64 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' HIS . 69.7 m -42.75 -27.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.51 119.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -127.17 118.86 25.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 7.7 m-85 -137.86 144.85 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . 12.3 m80 -61.33 128.29 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.456 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.21 -62.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -50.49 -51.99 42.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.6 m -52.62 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.701 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.7 tp -49.02 -54.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.631 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -41.34 -45.99 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -70.67 -36.71 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.701 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.03 -36.83 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.681 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -100.07 -25.96 14.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t60 -78.68 -12.15 60.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.15 -53.55 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.7 177.96 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.652 ' NE2' HG13 ' A' ' 55' ' ' VAL . 1.1 pp0? -139.73 16.37 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.652 HG13 ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -111.25 -47.27 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -106.01 108.91 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -25.92 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' CYS . 51.0 m80 -39.05 125.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.1 t -34.59 143.54 0.21 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.69 -43.08 2.93 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.38 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 39' ' ' HIS . 63.1 mmm -74.84 -81.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -77.38 178.92 6.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -102.58 11.81 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -87.27 138.93 31.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -38.15 114.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.452 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.7 t-105 -43.06 120.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . 12.8 tppt? -120.87 126.13 49.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.61 60.32 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 4.8 tptm -54.46 145.42 18.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.093 0 CA-C-O 120.726 0.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -136.54 154.21 50.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 t -133.11 156.26 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.55 93.13 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -113.37 93.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -116.91 25.65 10.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.599 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -82.92 2.36 34.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 137.76 41.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 8.9 t -52.54 165.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.85 -9.95 31.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 12' ' ' CYS . 3.0 mt -84.02 -53.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' N ' HG22 ' A' ' 11' ' ' ILE . 21.3 p -132.75 25.36 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.86 50.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.6 tpt -95.2 132.98 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.0 132.26 48.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.736 ' CD1' HD22 ' A' ' 32' ' ' LEU . 19.3 m-85 -62.62 -13.17 28.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -86.44 14.84 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.18 173.0 29.17 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.8 p -83.85 166.85 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.49 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 71.7 m -61.82 142.86 94.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -89.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.41 -38.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 19.8 t -42.48 138.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.0 -5.1 39.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 27' ' ' GLY . 2.4 t 39.92 82.35 0.23 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.759 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.297 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.608 ' O ' HG12 ' A' ' 25' ' ' VAL . . . -162.85 -151.99 6.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -108.12 -2.18 19.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.74 89.57 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.72 63.36 39.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.713 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.936 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -121.95 174.48 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.6 p -120.33 147.17 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.936 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.1 m-90 -109.43 158.33 18.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -112.19 169.58 13.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.19 -31.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 -179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 7.2 p -112.86 179.45 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.9 p -47.67 -24.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.3 t-80 -39.28 113.08 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -120.89 117.87 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 11.1 m-85 -138.91 142.11 38.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 46' ' ' ILE . 19.5 m80 -57.94 128.73 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -36.58 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.7 m -49.97 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.682 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.1 tp -46.56 -54.76 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.643 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -43.64 -41.89 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -35.18 66.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.682 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.07 -36.61 75.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -99.28 -25.3 14.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 85.6 t60 -82.95 -10.75 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.29 -62.4 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -116.5 158.28 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -84.72 6.58 23.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -56.87 -177.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -39.55 120.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -72.7 -3.94 28.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 49.6 m80 -46.06 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.49 159.54 85.22 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.505 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 -28.43 25.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.759 2.306 . . . . 0.0 112.322 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.88 -73.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.9 p -59.55 170.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -93.3 -21.19 19.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -54.69 137.28 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' TRP . 2.6 tt0 -53.66 110.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.667 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.7 t-105 -37.54 119.63 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 8.3 tppt? -119.05 125.56 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.67 60.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 17.2 tptt -41.13 156.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.095 0 CA-C-O 120.639 0.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -85.59 -63.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.7 124.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.34 157.39 17.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -124.16 110.68 14.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -120.1 2.09 10.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.83 26.91 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -131.61 150.98 51.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.9 t -57.58 170.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.4 -8.93 24.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.49 HG22 ' SG ' ' A' ' 12' ' ' CYS . 17.2 mt -102.95 -31.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' SG ' HG22 ' A' ' 11' ' ' ILE . 75.6 m -133.37 6.31 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 35.69 63.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.504 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 12.7 mmm -107.39 -171.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.79 118.85 36.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.722 ' CD1' HD22 ' A' ' 32' ' ' LEU . 23.2 m-85 -51.22 -21.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -93.18 22.48 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.0 -142.2 3.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.1 p -125.5 -162.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.14 151.35 43.57 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.678 0.752 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -48.51 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -75.87 -16.42 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.32 140.05 22.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -121.79 -41.6 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -37.38 142.36 0.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 111.056 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.95 -48.36 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -41.07 97.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.31 -31.61 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.44 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.0 m 38.97 66.92 2.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.2 14.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.293 . . . . 0.0 112.282 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.98 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.5 pp -112.99 171.93 7.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' CA ' ' A' ' 43' ' ' MET . 3.4 t -115.14 141.02 33.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.98 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 23.0 m-90 -108.18 155.0 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . . . -109.47 170.88 14.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -37.91 -32.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -113.04 -174.88 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 p -48.89 -23.07 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 5.5 t-80 -37.7 122.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -138.07 113.54 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -132.0 152.09 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 14' ' ' MET . 2.0 m80 -63.62 127.73 32.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.54 ' CA ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.72 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' MET . 17.0 m80 -32.6 -52.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.84 -80.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.1 tp -46.3 -55.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -42.03 -43.59 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.04 -33.29 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.684 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.27 -36.0 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.647 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -101.58 -26.28 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t60 -83.79 -8.81 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 48' ' ' LYS . . . -121.37 -62.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -64.81 123.75 20.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -85.85 1.52 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.658 HG12 ' H ' ' A' ' 56' ' ' GLN . 2.0 t -64.99 174.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.658 ' H ' HG12 ' A' ' 55' ' ' VAL . 28.0 mm100 -40.54 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.457 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -50.52 -21.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' CYS . 70.1 m80 -40.54 138.83 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' HIS . 11.4 t -33.01 134.36 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.673 0.749 . . . . 0.0 110.807 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.4 Cg_endo -69.68 -3.16 11.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.616 2.211 . . . . 0.0 112.402 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.6 mtm -127.36 -53.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -81.77 -173.82 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -119.52 13.13 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -104.39 157.59 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -49.53 118.74 2.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.472 ' CZ3' ' O ' ' A' ' 67' ' ' LYS . 4.3 t-105 -46.86 118.58 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 2.1 tppp? -115.93 122.96 46.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -74.69 60.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -56.79 153.39 10.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.101 0 CA-C-O 120.594 -0.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -72.82 145.12 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.84 133.62 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.9 133.08 48.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -90.04 37.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' GLU . 42.1 m-20 -108.8 20.74 18.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 51.9 mt-10 34.27 64.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.57 129.16 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -43.72 167.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.94 -15.67 9.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.861 HD12 ' CD2' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -78.61 -50.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.19 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 11' ' ' ILE . 9.1 p -131.12 10.71 4.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 46.55 56.58 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 1.7 tpp -104.3 134.71 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -61.19 126.09 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.6 m-30 -54.3 -19.04 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.56 6.36 15.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.38 177.99 21.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.442 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' A' ' 25' ' ' VAL . 1.8 m -89.08 -172.4 3.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.373 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 1.8 m -76.57 151.6 82.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -48.66 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -19.87 46.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -98.23 131.47 44.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' CD ' ' HD3' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -108.71 112.58 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.908 HG21 ' HB2' ' A' ' 30' ' ' CYS . 2.1 p -129.25 88.88 49.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.466 ' HD3' ' CD ' ' A' ' 24' ' ' LYS . 54.6 Cg_endo -69.7 64.69 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.401 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.39 -156.16 12.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.414 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -119.97 0.16 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -92.61 63.14 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.908 ' HB2' HG21 ' A' ' 25' ' ' VAL . 50.6 t -157.56 47.7 0.29 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.559 0.695 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.3 Cg_endo -69.76 171.33 14.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.589 2.193 . . . . 0.0 112.3 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.658 HD11 ' CZ2' ' A' ' 34' ' ' TRP . 3.2 pp -102.29 171.72 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -116.33 150.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.658 ' CZ2' HD11 ' A' ' 32' ' ' LEU . 11.1 m-90 -112.74 151.62 30.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.39 165.01 14.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' N ' ' HB2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -40.77 -28.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -105.28 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -64.36 -9.89 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 1.4 t-80 -60.33 121.45 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 3.4 m -122.35 125.86 46.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.861 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.2 m-85 -139.27 151.51 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.462 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.1 m80 -65.76 127.37 31.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.45 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -35.56 -64.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -52.52 -50.95 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.0 m -50.34 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.708 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.5 tp -51.57 -54.28 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.627 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.23 -47.27 1.63 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -36.43 71.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.708 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -56.11 -33.29 64.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.737 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -103.82 -24.05 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.568 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.39 -8.66 59.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' CA ' ' OE1' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -42.3 165.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.55 -22.89 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 56' ' ' GLN . 1.5 m -58.45 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.595 ' N ' HG23 ' A' ' 55' ' ' VAL . 54.6 mm-40 -64.96 156.28 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.664 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -72.67 -14.56 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.976 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 44.2 m80 -38.47 136.43 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.4 m -37.03 156.34 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -26.08 27.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.322 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 mtm -117.31 -58.21 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 m -67.52 175.26 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -3.59 19.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -78.54 151.92 32.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' TRP . 52.7 mt-10 -57.04 108.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.737 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.9 t-105 -37.77 123.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -125.64 131.25 52.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.5 m-85 -74.54 60.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 9.5 tptt -57.06 154.76 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.166 0 CA-C-O 120.595 -0.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -72.86 110.26 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.385 . . . . 0.0 110.892 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 3' ' ' VAL . 0.5 OUTLIER -112.69 6.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.76 0.79 36.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -107.39 100.32 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.25 8.41 33.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.48 6.93 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.9 129.57 56.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 13.3 t -42.23 164.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.89 -14.47 22.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD12 ' HD2' ' A' ' 41' ' ' PHE . 2.8 mt -77.81 -54.77 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.735 0.303 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 13' ' ' ARG . 19.6 p -132.94 31.33 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 29.83 50.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 tpt -97.03 132.64 42.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.976 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 122.18 14.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 23.8 m-85 -47.38 -24.33 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -89.76 24.49 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.51 -167.57 11.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.17 155.01 26.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 58.2 m -53.71 143.27 39.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.613 0.72 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.36 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.282 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -72.54 -23.45 60.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 5.5 t -78.15 124.53 28.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 25' ' ' VAL . 22.4 ttpt -64.75 -11.38 35.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.3 p 40.33 82.4 0.23 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.609 0.719 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -3.12 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.413 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.91 -130.69 1.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -118.62 -2.15 11.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.3 84.27 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 42.4 t -158.23 56.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.646 0.736 . . . . 0.0 110.978 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.7 Cg_endo -69.73 171.9 13.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -115.46 169.62 9.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -126.74 151.28 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -113.89 159.76 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -113.04 176.63 17.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.4 -29.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.916 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLY . 21.2 p -117.55 -175.84 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.9 m -50.72 -24.76 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -38.18 114.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -124.54 117.97 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.636 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.4 m-85 -134.29 141.35 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 26.0 m80 -55.22 130.85 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -36.93 -77.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -40.35 -55.01 2.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 52.3 m -45.84 -80.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -47.55 -54.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.26 -42.57 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -71.92 -37.7 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -56.6 -38.26 71.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -97.48 -24.22 15.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 2.3 t60 -81.86 -10.86 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 -40.63 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -67.22 145.87 54.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.13 13.34 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -50.57 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.01 147.31 41.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.35 -26.23 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.8 m80 -38.44 137.18 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -30.94 145.77 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.674 0.75 . . . . 0.0 110.836 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.73 -2.79 10.74 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 0.0 112.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.45 -23.77 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 64.63 10.62 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -97.33 -175.63 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -65.11 90.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.644 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.44 118.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.522 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -117.15 126.5 52.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.65 60.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 5.5 tptt -49.9 149.04 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.088 0 CA-C-O 120.647 0.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -64.58 108.34 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.63 161.91 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 30.81 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -64.41 123.82 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -117.5 2.7 12.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -90.05 24.61 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.41 120.56 39.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 2.9 t -46.48 173.51 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -107.36 -3.97 35.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.632 HD12 ' CD2' ' A' ' 41' ' ' PHE . 6.4 mt -106.9 -27.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.95 4.16 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 42.79 29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -100.31 138.86 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 14' ' ' MET . . . -60.86 141.15 57.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 43.8 m-85 -65.05 -16.21 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -13.93 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.35 -152.69 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' CYS . 15.5 p -126.62 168.23 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -36.18 137.45 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.676 0.75 . . . . 0.0 110.891 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' CYS . 53.4 Cg_endo -69.82 -89.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -36.27 -32.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.587 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.8 t -43.84 103.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -49.78 -22.37 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 23' ' ' CYS . 6.5 t 74.16 80.38 0.16 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -14.03 35.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.66 -143.04 3.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -117.44 -0.17 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 88.73 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 50.3 m -152.25 48.28 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.723 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.4 Cg_endo -69.75 -167.7 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -127.78 159.49 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' O ' HD12 ' A' ' 32' ' ' LEU . 6.5 p -116.4 154.51 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.554 ' CZ3' ' HG ' ' A' ' 32' ' ' LEU . 9.3 m-90 -113.3 161.49 17.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.24 171.76 14.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.54 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.725 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.04 -30.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.975 -179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' GLY . 8.2 p -114.9 174.32 6.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' HIS . 41.7 t -43.64 -26.6 0.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' NE2' ' CD1' ' A' ' 41' ' ' PHE . 5.7 t-80 -37.94 121.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -126.1 132.4 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.632 ' CD2' HD12 ' A' ' 11' ' ' ILE . 10.5 m-85 -149.81 147.97 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.5 ' O ' HG22 ' A' ' 46' ' ' ILE . 9.7 m80 -68.35 133.73 49.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.94 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.4 m170 -37.77 -53.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 4.3 m -48.86 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.707 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.1 tp -48.04 -55.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -39.02 -45.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -36.74 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.707 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.649 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -102.78 -23.95 13.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.8 t60 -82.04 -10.28 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.9 -58.58 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -112.62 156.86 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -114.94 -23.03 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.56 -44.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.7 122.07 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.75 -23.92 10.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' CYS . 46.7 m80 -40.64 143.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -35.25 150.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.83 -45.78 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.8 mmm -92.52 -40.66 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.48 179.01 5.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 5.29 15.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -82.42 -178.13 6.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -76.98 102.42 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.639 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.9 119.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.57 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -116.05 126.51 53.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -74.24 60.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.2 tppp? -62.14 157.71 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.058 0 CA-C-O 120.671 0.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -127.7 118.67 24.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.477 HG22 ' H ' ' A' ' 5' ' ' ASN . 8.7 p -166.77 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.17 9.75 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.477 ' H ' HG22 ' A' ' 3' ' ' VAL . 25.4 m120 -135.04 159.87 40.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 52.46 34.5 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -70.9 -14.29 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.69 139.6 46.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.19 -176.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.01 -29.39 1.67 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.33 -40.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.32 9.04 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 35.73 58.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -119.87 128.97 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.41 128.29 9.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.85 ' CD1' HD13 ' A' ' 32' ' ' LEU . 22.9 m-85 -54.31 -19.44 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.93 17.46 7.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 165.14 24.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.74 173.27 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 1.6 m -79.16 152.64 76.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -46.82 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -86.01 6.99 26.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 1.4 t -125.19 105.94 9.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.01 19.86 19.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -37.31 142.86 0.37 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.084 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 68.76 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.77 149.67 7.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -93.15 -7.21 46.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.29 92.38 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.1 t -151.64 73.95 8.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.708 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 171.04 15.27 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.26 . . . . 0.0 112.307 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -111.0 176.82 4.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 46' ' ' ILE . 4.7 p -120.79 144.28 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 14.7 m-90 -107.18 155.92 19.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.4 -175.78 21.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -49.23 -32.33 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.25 179.57 3.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -44.88 -25.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.4 t-80 -39.82 121.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -133.84 116.42 15.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 8.3 m-85 -131.28 152.01 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.51 ' O ' HG22 ' A' ' 46' ' ' ILE . 8.7 m80 -62.32 127.7 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.98 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' MET . 6.6 m80 -35.5 -52.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 27.2 m -51.84 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -47.03 -55.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.831 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.6 -48.47 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.831 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.71 -37.58 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -54.8 -36.84 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.659 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -99.44 -25.16 14.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.1 t60 -79.8 -10.88 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.75 -59.01 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -81.23 105.86 12.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' A' ' 54' ' ' GLN . 0.8 OUTLIER -89.84 -21.36 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.696 HG23 ' OE1' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -43.17 -46.23 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.696 ' OE1' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -140.36 142.92 35.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -29.65 8.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 59' ' ' CYS . 41.1 m80 -40.79 135.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.2 m -34.88 143.32 0.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.544 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.5 Cg_endo -69.71 -19.17 36.69 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.411 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 16.6 mmm -104.01 -50.97 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.5 p -107.03 -176.14 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -96.76 -26.27 15.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.87 112.37 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.649 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.9 t-105 -40.04 120.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -119.45 122.99 42.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -74.57 60.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 36' ' ' GLN . 4.6 tppp? -54.98 152.86 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.939 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.119 0 CA-C-O 120.651 0.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -99.96 -34.35 10.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.0 m -64.04 156.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -111.18 79.17 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -70.73 115.93 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -121.01 7.85 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.26 7.14 23.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.01 134.14 49.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -43.15 167.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.04 -12.66 13.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.535 HG22 ' SG ' ' A' ' 12' ' ' CYS . 97.6 mt -94.69 -34.31 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.535 ' SG ' HG22 ' A' ' 11' ' ' ILE . 3.2 m -138.71 19.26 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' CD ' ' C ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 36.13 32.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' CYS . 3.0 tpp -88.05 130.21 35.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -55.18 119.85 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 32' ' ' LEU . 25.4 m-85 -47.04 -25.64 0.87 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.97 30.54 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.8 173.65 26.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -79.23 157.7 27.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.4 m -83.74 155.16 65.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.858 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -48.45 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.3 . . . . 0.0 112.263 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -85.44 -1.14 56.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.61 115.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.648 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.23 -31.86 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -172.61 83.87 0.43 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 0.0 111.079 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 144.27 53.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.75 -117.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.92 -15.31 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -116.61 80.36 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 34.5 m -154.21 49.11 0.44 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.3 Cg_endo -69.75 170.87 15.56 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.848 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -99.83 179.5 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.666 ' N ' HD12 ' A' ' 32' ' ' LEU . 22.2 t -138.16 140.64 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.848 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 21.0 m-90 -107.64 166.81 10.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -125.05 164.18 18.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.521 HE21 ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.44 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.3 p -109.75 178.56 4.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.4 t -47.77 -25.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.646 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-160 -44.88 139.06 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 13.4 p -161.18 116.1 2.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 22.6 m-85 -134.21 165.45 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' ILE . 44.0 m80 -64.49 132.77 50.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.87 -62.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 8.0 m80 -54.54 -52.37 62.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.8 m -46.78 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 8.2 tp -54.49 -53.1 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.728 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -42.2 -51.41 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.728 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.67 -42.26 98.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -50.24 -43.31 52.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.714 HD22 ' HD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -92.3 -23.93 19.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.7 OUTLIER -81.75 -6.26 58.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.81 -66.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.14 136.9 48.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -118.96 37.24 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -44.25 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -141.96 138.33 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -24.97 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 78.5 m80 -48.0 129.83 14.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' HG ' ' C ' ' A' ' 62' ' ' CYS . 24.4 p -35.6 153.15 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.552 0.691 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.519 ' SD ' ' CZ ' ' A' ' 41' ' ' PHE . 9.9 mtp -63.16 -66.2 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' C ' ' HG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -91.98 -172.54 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -111.15 12.15 21.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -86.74 153.19 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 15.2 pt-20 -53.31 106.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.714 ' HD1' HD22 ' A' ' 50' ' ' LEU . 4.6 t-105 -38.15 119.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 1.1 mmmm -117.87 123.5 46.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.66 ' HD1' HG11 ' A' ' 33' ' ' VAL . 4.9 m-85 -75.45 55.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 156.87 20.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.109 0 CA-C-O 120.681 0.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -57.84 160.69 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.835 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -81.54 87.09 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.65 122.47 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.45 169.31 18.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 40.78 33.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.44 37.41 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 144.2 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -56.63 179.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.62 -29.97 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.46 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.665 HD12 ' HD2' ' A' ' 41' ' ' PHE . 6.2 mt -88.28 -26.38 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.081 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 13' ' ' ARG . 80.5 m -132.49 5.58 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 5.4 ppt_? 32.91 37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.1 mtp -85.45 -175.74 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.28 120.28 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.845 ' CD1' HD13 ' A' ' 32' ' ' LEU . 23.5 m-85 -50.68 -21.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -87.42 16.97 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.87 -154.83 7.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' O ' ' CE ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -115.22 -174.7 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.856 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -81.09 155.28 72.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -48.5 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.59 2.193 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' LYS . 8.1 m-20 -84.51 2.28 41.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 t -47.14 92.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -36.13 -33.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 24' ' ' LYS . 93.4 t -161.41 93.66 1.41 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 53.8 Cg_endo -69.76 133.32 25.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.612 2.208 . . . . 0.0 112.384 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -140.21 -119.74 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -118.45 -0.09 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.26 72.85 1.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 5.4 m -157.5 49.2 0.35 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 54.1 Cg_endo -69.78 -166.03 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.845 HD13 ' CD1' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -122.48 176.55 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 41' ' ' PHE . 15.0 p -123.65 144.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 10.7 m-90 -108.41 156.59 19.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.37 174.27 17.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -39.12 -32.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.59 -178.55 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 t -47.51 -24.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 4.1 t-80 -38.14 116.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -128.65 113.52 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.902 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.667 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.5 m-85 -133.61 138.97 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 3.8 m80 -54.7 128.57 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.38 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 43' ' ' MET . 10.1 m80 -33.35 -52.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.68 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.8 tp -47.5 -55.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.842 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -39.39 -48.7 1.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.842 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.02 -38.54 82.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -53.68 -39.17 64.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.657 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -96.16 -25.65 15.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 1.1 t60 -78.48 -11.35 59.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.02 -49.77 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 2.2 mm100 -71.78 176.93 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -25.65 7.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.7 -66.98 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -38.08 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -114.67 -29.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' CYS . 53.4 m80 -42.61 132.28 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -33.89 148.46 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.71 -9.14 25.39 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.539 ' SD ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -128.22 -66.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 4.4 p -75.27 160.47 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -15.0 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 62' ' ' CYS . 3.3 mp0 -60.82 148.92 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 6.0 pt-20 -61.04 112.49 2.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.0 t-105 -37.9 120.92 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 124.53 44.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.64 60.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' GLU . 5.9 tptm -54.91 145.24 20.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' LYS . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.088 0 CA-C-O 120.629 0.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -120.14 128.46 53.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.47 112.06 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.2 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.11 17.21 14.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -96.54 126.95 42.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.34 1.88 12.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.51 5.13 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -125.5 141.12 52.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 1.9 t -46.0 172.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.509 ' N ' ' CE1' ' A' ' 41' ' ' PHE . . . -117.76 -21.87 4.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.544 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.9 mt -86.23 -32.06 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' O ' ' NE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -141.52 13.05 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.78 68.47 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.405 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 7.2 tpp -117.93 131.7 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.63 120.06 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.83 ' HB3' HD21 ' A' ' 32' ' ' LEU . 12.2 m-30 -50.43 -22.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -90.03 21.55 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.96 -139.89 4.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 4.0 m -138.99 174.9 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -82.48 147.13 55.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -83.94 9.27 12.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -130.3 150.15 51.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 126.67 53.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 25' ' ' VAL . 13.0 t -107.17 81.27 0.95 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.059 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.88 -2.87 10.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.9 -13.9 1.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.02 -11.23 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' CYS . 26.7 t0 47.45 51.46 13.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' SG ' ' CG2' ' A' ' 25' ' ' VAL . 31.8 p -38.11 101.46 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 170.56 16.28 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.222 . . . . 0.0 112.391 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -110.7 -175.1 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 43' ' ' MET . 15.3 t -137.5 140.31 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.702 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 16.3 m-90 -104.25 157.91 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.78 177.56 18.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -28.81 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.69 -171.94 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' HIS . 68.4 m -49.37 -33.19 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.64 ' NE2' ' CD2' ' A' ' 41' ' ' PHE . 2.4 t-80 -37.83 125.84 1.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' A' ' 34' ' ' TRP . 52.6 t -148.63 115.8 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD2' ' NE2' ' A' ' 39' ' ' HIS . 21.4 m-85 -127.39 159.65 33.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' ' SG ' ' A' ' 9' ' ' CYS . 12.0 m80 -59.61 129.89 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.464 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -37.51 -64.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -52.56 -51.93 57.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 m -47.75 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.695 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.9 tp -53.86 -54.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.774 HD23 ' CE ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -40.14 -49.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.774 ' CE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -38.65 86.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.695 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -54.18 -39.73 66.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.693 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -96.74 -22.89 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.9 OUTLIER -83.01 -8.85 59.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.82 -57.02 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.59 ' CB ' HG22 ' A' ' 55' ' ' VAL . 19.0 mp0 -125.16 147.89 48.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -80.0 4.25 17.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.59 HG22 ' CB ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -54.59 -177.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -41.16 103.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.586 HE22 ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -62.63 -12.61 24.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 68.3 m80 -38.3 134.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -35.69 153.05 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.76 -6.92 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.278 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.2 ptm -149.07 -56.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -39.57 -29.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' MET . 0.3 OUTLIER 70.06 6.84 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -107.69 -177.53 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' TRP . 14.3 mt-10 -66.22 95.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.693 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.4 t-105 -37.87 119.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -117.49 125.38 50.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -74.68 60.38 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 144.0 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.127 0 CA-C-O 120.663 0.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 68.68 44.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.962 0.41 . . . . 0.0 110.902 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.16 121.11 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.32 125.6 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -153.71 118.01 4.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -116.29 -4.62 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.02 -11.75 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.9 125.06 53.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 5.7 t -44.06 168.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.76 -6.73 30.3 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD12 ' HD2' ' A' ' 41' ' ' PHE . 16.8 mt -99.01 -33.89 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 14.4 m -136.23 22.48 3.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.6 35.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -84.16 139.12 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.26 126.39 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CZ ' ' O ' ' A' ' 40' ' ' CYS . 16.8 m-85 -51.16 -21.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.23 -15.08 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.83 -142.84 5.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -130.65 175.12 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 m -41.94 156.18 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASP . 54.3 Cg_endo -69.71 -89.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' PRO . 16.3 t70 -37.12 -34.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.1 m -56.43 89.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.15 37.58 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.64 HG13 ' HD2' ' A' ' 26' ' ' PRO . 72.8 t -93.34 138.24 23.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.64 ' HD2' HG13 ' A' ' 25' ' ' VAL . 53.7 Cg_endo -69.79 66.01 1.8 Allowed 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.684 2.256 . . . . 0.0 112.282 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.16 130.74 2.72 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -81.86 -2.46 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.23 54.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 1.5 m -137.6 56.71 12.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 52.7 Cg_endo -69.89 177.24 5.87 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.288 . . . . 0.0 112.285 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.945 HD13 ' SG ' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -111.56 -176.11 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 41' ' ' PHE . 7.3 p -126.87 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.589 ' CH2' ' CD1' ' A' ' 32' ' ' LEU . 26.8 m-90 -112.69 153.25 27.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -108.94 176.47 19.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -37.7 -30.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' GLY . 27.4 p -112.26 -176.63 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' HIS . 10.7 p -52.55 -20.36 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 6.6 t-80 -37.34 124.77 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.945 ' SG ' HD13 ' A' ' 32' ' ' LEU . 53.7 t -134.63 103.15 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.764 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 6.1 m-85 -124.04 146.33 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' O ' HG22 ' A' ' 46' ' ' ILE . 7.2 m80 -58.32 123.15 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -37.88 -64.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -45.81 -52.58 10.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.2 m -55.32 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 7.9 tp -44.37 -54.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.651 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -44.37 -46.31 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -36.95 82.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -57.1 -43.01 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 66' ' ' TRP . 1.1 tp -91.12 -23.37 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -82.09 -12.17 58.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 -33.33 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 24.9 mp0 -114.95 174.5 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 12.6 mm-40 -136.3 -41.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.06 -54.65 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -97.21 116.21 28.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -30.66 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' CYS . 47.2 m80 -39.57 132.4 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -31.3 144.4 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.72 -10.63 29.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.729 2.286 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -61.21 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.4 m -66.96 -177.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -115.16 -1.91 12.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -87.73 148.05 24.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -50.31 114.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.746 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.4 t-105 -37.84 121.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 7.5 tppt? -121.97 121.08 36.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.402 ' CE1' ' HZ2' ' A' ' 66' ' ' TRP . 1.7 m-85 -74.56 60.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.05 156.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.172 0 CA-C-O 120.636 0.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -94.02 144.04 25.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 3' ' ' VAL . 38.7 t -118.03 27.67 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.89 97.9 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -140.75 111.92 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.76 11.09 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 1.7 pt-20 -84.91 4.28 34.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 129.69 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -41.75 164.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.69 -10.0 29.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mt -87.21 -48.06 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.8 p -135.34 29.4 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.81 38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.541 ' CG ' ' NE2' ' A' ' 42' ' ' HIS . 8.0 tpp -81.22 138.73 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 124.31 24.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 7' ' ' GLU . 29.9 m-85 -58.57 -17.16 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.34 -1.7 34.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.72 -152.6 8.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.2 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 96.7 m -38.84 149.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.91 -89.78 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -40.93 -37.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 20' ' ' CYS . 8.9 t -47.96 125.79 9.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -8.47 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.3 p 39.69 82.62 0.22 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -4.92 15.01 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.08 -127.24 1.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -115.62 -2.97 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.05 61.01 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 2.2 m -156.77 48.64 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 30' ' ' CYS . 53.1 Cg_endo -69.79 172.51 12.53 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -98.64 160.47 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 41' ' ' PHE . 9.9 p -114.49 144.5 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.676 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 14.6 m-90 -107.53 157.57 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -112.88 172.96 14.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -36.7 -33.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.913 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' GLY . 1.7 p -112.55 179.25 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -48.65 -23.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -37.98 115.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -122.18 116.7 24.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.693 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.9 m-85 -137.08 144.35 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.541 ' NE2' ' CG ' ' A' ' 14' ' ' MET . 3.2 m80 -57.41 127.93 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -35.79 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -47.96 -55.35 10.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 51.3 m -43.39 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.699 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 5.6 tp -51.89 -54.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.878 HD23 ' HD2' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -38.91 -44.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.878 ' HD2' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -71.87 -43.05 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.699 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -50.23 -31.31 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -105.63 -25.04 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 1.5 t60 -82.79 -3.84 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.11 -27.03 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.35 138.89 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.686 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.0 OUTLIER -100.48 -21.47 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.44 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -43.01 -47.02 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 25.1 mp0 -126.45 120.52 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -27.4 11.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.6 m80 -41.5 136.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -36.28 152.08 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.1 Cg_endo -69.89 -34.01 15.0 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.7 ptp -109.93 -58.98 1.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 m -65.25 171.07 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -111.34 29.3 7.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -116.45 156.76 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 23.3 mt-10 -54.37 105.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.715 ' CD1' HD22 ' A' ' 50' ' ' LEU . 4.3 t-105 -37.59 119.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.556 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -115.24 125.1 52.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.3 56.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -43.62 133.24 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' LYS . 4.4 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.128 0 CA-C-O 120.578 -0.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -121.73 21.53 10.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.07 108.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.06 116.97 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -124.19 93.09 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -96.41 24.29 5.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -93.79 43.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.14 137.09 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 10.8 t -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.73 -9.02 36.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 12' ' ' CYS . 2.6 mt -85.92 -53.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 13' ' ' ARG . 16.1 p -132.85 28.29 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 34.46 40.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 4.4 tpp -84.73 136.92 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.99 125.16 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 25.1 m-85 -52.92 -22.39 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -89.47 22.41 2.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.66 -178.56 17.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.7 m -91.99 -178.82 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.49 ' HB2' ' CB ' ' A' ' 23' ' ' CYS . 70.5 m -84.2 141.93 40.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.584 0.707 . . . . 0.0 110.805 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -89.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.94 -44.88 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' HG13 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -38.93 113.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -100.04 24.18 8.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG13 ' SG ' ' A' ' 23' ' ' CYS . 5.8 m -38.02 149.47 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -4.02 13.16 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' VAL . . . -141.94 -160.29 8.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -119.44 -7.86 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.93 98.83 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.1 p -157.58 82.52 3.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 170.92 15.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.61 HD21 ' CZ2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -100.97 159.86 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 41' ' ' PHE . 4.7 p -114.54 146.88 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.61 ' CZ2' HD21 ' A' ' 32' ' ' LEU . 22.4 m-90 -111.34 155.04 23.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' CYS . . . -109.88 173.31 16.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.653 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -38.08 -30.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLY . 22.6 p -114.24 -178.5 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -50.72 -22.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.1 t-80 -38.68 115.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -122.87 114.92 21.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 9.7 m-85 -136.23 142.91 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 46' ' ' ILE . 24.2 m80 -58.61 129.43 42.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -35.84 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -38.53 -55.45 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 52.8 m -46.01 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.69 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.2 tp -48.2 -55.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.802 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.71 -51.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.802 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.61 -40.76 96.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.69 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -51.99 -36.65 50.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.87 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -97.96 -20.23 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.961 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.544 ' CD2' ' HG ' ' A' ' 47' ' ' LEU . 7.8 m-70 -87.71 -5.44 58.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.9 -62.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HB3' HG13 ' A' ' 55' ' ' VAL . 17.6 mm-40 -114.32 145.84 41.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.455 ' NE2' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -79.7 4.2 16.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.716 HG23 ' N ' ' A' ' 56' ' ' GLN . 2.3 m -57.56 -157.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.716 ' N ' HG23 ' A' ' 55' ' ' VAL . 38.2 mm-40 -51.8 112.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -71.81 -4.57 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.417 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 58.5 m80 -46.56 174.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 159.73 82.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.9 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.1 mtm -111.56 -43.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.82 150.78 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -18.39 39.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -63.26 139.29 58.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' TRP . 4.4 tt0 -51.48 109.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.87 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.5 t-105 -37.36 122.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.41 124.21 39.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -74.65 60.14 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -38.48 149.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.127 0 CA-C-O 120.666 0.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -133.99 68.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.963 0.411 . . . . 0.0 110.864 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 t -104.47 70.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.5 82.64 3.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -96.73 99.61 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.78 21.14 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.96 19.15 8.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.75 142.55 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 3.0 t -50.8 173.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.95 -22.34 6.31 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 45' ' ' CYS . 3.7 mt -74.02 -46.23 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' MET . 21.2 p -140.65 29.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 13' ' ' ARG . 4.5 ppt_? 33.72 35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' CYS . 5.9 tpp -77.4 140.14 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.67 124.8 25.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.119 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CE2' ' SG ' ' A' ' 40' ' ' CYS . 26.0 m-85 -54.09 -22.94 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -94.06 27.49 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.51 -167.62 11.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.86 -157.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -122.6 164.37 27.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.77 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -40.77 -28.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.63 106.87 16.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.804 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -123.51 112.68 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 24' ' ' LYS . 2.9 t -167.63 133.73 1.71 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.07 22.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.318 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.36 32.85 6.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' CYS . 15.5 t0 -116.75 -27.21 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER 37.99 30.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' ASP . 15.2 m -36.74 98.87 0.17 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -165.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.31 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -138.16 163.9 30.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 41' ' ' PHE . 8.4 p -116.04 145.52 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 19.0 m-90 -109.7 153.75 23.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.1 179.64 23.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.68 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -45.19 -30.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -115.14 178.73 4.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.3 p -45.83 -26.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 2.1 t-80 -37.96 112.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -119.73 120.59 37.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.3 m-85 -139.67 139.58 36.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' ILE . 22.3 m80 -54.1 129.94 36.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -37.55 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -40.95 -54.44 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 49.1 m -46.63 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.693 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -48.69 -55.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -40.62 -47.42 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.857 ' HE3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -68.8 -37.73 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -55.16 -37.72 67.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.719 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -98.27 -24.58 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 76.8 t60 -80.86 -10.53 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.92 -10.17 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -122.76 127.07 48.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -108.63 24.6 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -118.31 -72.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -93.84 132.32 38.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -26.84 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 48.0 m80 -41.72 132.82 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' HIS . 1.3 m -34.25 147.06 0.13 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.79 -34.39 14.58 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.86 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -72.7 -174.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -120.07 27.93 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -107.69 155.33 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -55.14 106.47 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.719 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -39.08 121.3 1.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' O ' ' CZ3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -124.56 128.62 49.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.5 60.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -45.96 150.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 0.097 0 CA-C-O 120.593 -0.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t 56.53 45.99 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 110.878 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.58 124.96 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.69 126.8 49.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.7 123.1 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.49 12.5 36.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -104.4 44.11 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.15 121.6 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' CD2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -51.0 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.0 -17.79 4.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 -37.51 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -128.21 12.97 6.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mmt180 38.24 35.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 15' ' ' ALA . 5.4 tpp -97.66 137.58 36.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' SD ' ' A' ' 14' ' ' MET . . . -59.41 126.55 28.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 24.4 m-85 -47.86 -28.23 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.796 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.75 32.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.64 157.28 26.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -54.07 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 0.3 OUTLIER -120.54 143.02 35.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' CYS . 53.8 Cg_endo -69.8 -89.29 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.376 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' PRO . 3.8 m-20 -35.35 -34.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 67.8 m -62.11 -92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 78.86 34.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' HD2' ' A' ' 26' ' ' PRO . 12.9 p -80.12 137.17 53.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HD2' HG23 ' A' ' 25' ' ' VAL . 53.9 Cg_endo -69.8 66.34 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.381 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.85 131.76 1.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.546 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.05 -23.31 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.16 93.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 t -173.0 70.34 0.39 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 171.37 14.65 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -106.89 163.32 13.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.7 p -115.24 143.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 13.0 m-90 -107.93 157.37 18.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.26 170.31 14.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -40.63 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' HIS . 20.1 p -110.85 176.15 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -39.8 -29.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 41' ' ' PHE . 3.2 t-80 -37.75 119.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -134.69 116.46 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.594 ' CD1' ' CD2' ' A' ' 39' ' ' HIS . 10.4 m-85 -133.48 157.29 46.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' HG22 ' A' ' 46' ' ' ILE . 10.4 m80 -66.19 126.07 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.69 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 43' ' ' MET . 12.7 m170 -36.78 -53.31 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 42' ' ' HIS . 56.1 m -51.1 -80.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 6.0 tp -46.36 -55.43 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.872 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.872 ' HE2' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.696 ' CE3' ' CD1' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -52.59 -35.58 54.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD22 ' CD1' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -100.99 -23.01 14.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -82.56 -7.92 59.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB3' ' NE2' ' A' ' 53' ' ' GLN . . . -87.28 -68.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.625 ' NE2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -89.41 167.06 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.642 ' NE2' HG13 ' A' ' 55' ' ' VAL . 1.2 pp0? -131.71 17.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG13 ' NE2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -104.23 -51.16 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.32 98.83 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -29.92 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' CYS . 45.8 m80 -40.77 130.89 2.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.505 ' HG ' ' HE3' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -34.06 142.36 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HD3' ' CZ2' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.76 -26.67 27.32 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.62 2.213 . . . . 0.0 112.359 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 10.5 ttp -98.44 -65.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 59' ' ' CYS . 26.0 p -81.36 -176.99 6.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.93 3.39 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -84.73 138.63 32.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' TRP . 18.7 tt0 -39.08 110.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.752 ' CD1' HD22 ' A' ' 50' ' ' LEU . 5.1 t-105 -37.94 120.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' ' CE3' ' A' ' 66' ' ' TRP . 3.9 tppp? -121.45 122.93 40.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -74.72 60.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 36' ' ' GLN . 14.6 tptt -40.96 157.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_