data_2cq2_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 2cq2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.519 HD12 ' CD2' ' A' ' 82' ' ' TYR . 61.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -94.77 128.54 41.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 p -127.33 138.17 52.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 40' ' ' TYR . 19.3 m -82.82 179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -100.24 -37.93 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 38' ' ' VAL . 17.3 p90 -68.01 -178.18 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -88.59 137.73 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 55.5 p -140.37 125.57 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' THR . 55.4 mt-30 -37.17 -36.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -85.92 150.59 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 119' ' ' PHE . 34.0 mt -142.63 163.2 33.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 8.9 p -125.97 119.35 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.25 114.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 155.75 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 69.4 m-20 57.14 26.6 12.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.72 -126.5 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 155.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.4 mt -44.16 -50.32 8.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.58 -34.82 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.2 m-20 -88.95 33.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.27 33.34 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -111.94 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.809 0.338 . . . . 0.0 111.098 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -77.22 164.16 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -64.71 -41.25 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 4.1 m-20 -73.69 -2.95 25.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -108.04 -19.85 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -105.74 -39.07 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 7.2 tp -56.55 -42.77 97.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.1 Cg_exo -48.07 -36.77 29.02 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.656 2.238 . . . . 0.0 112.319 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.415 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 39.3 t -80.86 -29.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 100' ' ' LEU . 78.2 mt -78.48 -14.55 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -91.94 -45.95 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 64' ' ' VAL . 19.6 ptmt -53.62 -34.84 59.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.26 -59.13 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.56 172.28 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.79 133.83 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.62 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.16 -50.08 37.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.91 127.99 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 tp -114.12 101.6 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.86 124.23 29.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.6 mtp -129.66 94.7 31.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.692 . . . . 0.0 110.818 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.85 36.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.08 49.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.78 37.51 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' CE ' ' OH ' ' A' ' 82' ' ' TYR . 35.7 mmtm -134.97 121.3 14.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.69 16.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.41 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD2' HD12 ' A' ' 35' ' ' ILE . 18.6 p90 -122.78 146.73 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 175.53 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CG ' HG11 ' A' ' 123' ' ' VAL . 45.8 m-85 -133.08 135.84 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.66 154.31 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -130.88 110.35 11.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -83.62 172.43 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -83.18 -42.67 17.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -130.27 137.5 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -41.04 -59.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.0 mt-10 -33.72 -51.91 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.64 -58.14 9.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.04 -56.67 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 36.4 mtpt -53.21 -52.03 60.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -47.4 -43.28 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.38 -31.63 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -67.42 -35.42 79.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.86 -18.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -99.99 -62.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 65' ' ' LEU . 28.7 mt -55.52 -48.48 74.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 45.0 t-20 -51.86 123.46 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.65 -23.62 24.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -70.08 146.89 50.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -96.07 160.28 14.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -156.18 134.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.08 126.45 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.42 -178.5 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.99 -41.84 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.7 -27.63 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.14 12.4 27.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.9 133.97 50.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -68.68 124.22 23.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 114' ' ' THR . 35.8 mt -114.25 145.26 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' HG21 ' A' ' 113' ' ' ILE . 2.1 m -95.45 110.37 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 11.0 mt -100.32 147.71 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -123.92 122.15 37.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.4 128.14 43.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 33.6 m-20 -119.07 146.08 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.5 m-85 -74.04 125.91 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.77 125.89 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.85 -43.78 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.493 HG11 ' CG ' ' A' ' 84' ' ' PHE . 95.1 t -151.63 142.62 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.49 75.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -107.72 112.16 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.9 p -106.84 144.03 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -83.48 -175.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -104.99 -40.81 5.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.56 ' CE2' HG22 ' A' ' 42' ' ' THR . 23.0 p90 -68.74 168.24 13.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.44 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.56 HG22 ' CE2' ' A' ' 40' ' ' TYR . 45.8 p -133.93 133.8 41.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -49.23 -24.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -99.26 150.79 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 119' ' ' PHE . 79.3 mt -143.62 141.55 30.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 9.8 p -105.12 122.19 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.98 114.44 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.43 153.59 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 61.08 25.22 15.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -128.16 -128.92 3.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.77 157.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.413 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.6 mt -45.52 -52.01 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -32.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.35 34.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.07 38.85 32.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.83 117.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 m -88.52 153.55 21.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -58.8 -42.21 88.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t-20 -74.03 -3.0 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 41.5 tp60 -108.16 -18.47 13.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 21.0 tp -107.29 -38.57 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -57.07 -42.61 97.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -48.02 -37.57 30.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.89 -24.53 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 100' ' ' LEU . 14.6 mt -85.92 -14.4 44.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.12 -44.78 10.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -35.87 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -77.18 -55.91 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.29 -178.75 25.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.55 128.99 35.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.22 110.26 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.62 -51.85 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.31 129.98 16.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.34 105.52 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -85.1 122.72 29.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.4 mtp -127.01 96.97 33.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 138.77 38.37 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.84 49.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.08 41.96 31.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -136.96 122.41 13.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -4.76 14.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -123.46 153.05 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -140.17 177.05 8.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -133.67 136.15 44.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.67 144.7 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.9 ttp180 -122.81 107.67 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -80.48 172.97 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -87.79 -29.18 21.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -138.99 141.77 38.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.8 m -50.48 -53.94 26.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 14.3 pt-20 -36.86 -52.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 67.4 mt-10 -57.99 -61.29 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -38.53 -49.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.36 -53.29 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -47.59 -42.82 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' CA ' ' HG ' ' A' ' 100' ' ' LEU . . . -75.24 -33.33 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.582 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.4 t80 -65.36 -36.67 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.66 -20.18 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.7 m -96.48 -63.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 65' ' ' LEU . 21.2 mt -54.49 -51.0 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 50.3 t-20 -50.18 117.69 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.91 -25.81 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.13 157.73 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.33 145.26 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.34 138.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.95 107.35 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 3.1 p30 -65.36 -175.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.474 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 37.1 mt -61.61 -30.0 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.16 19.38 8.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.0 144.02 40.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -79.09 122.77 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -117.79 149.36 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.7 m -100.9 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.9 mt -91.67 146.28 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -119.14 119.94 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.56 127.43 44.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -118.96 146.1 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.7 m-85 -73.51 117.66 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.15 148.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.37 -37.78 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -102.66 132.75 48.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 69.5 t -157.49 136.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.25 68.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.414 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.1 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.56 HD13 ' CD2' ' A' ' 82' ' ' TYR . 94.1 mt . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -113.66 124.2 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.433 ' CB ' ' HB3' ' A' ' 118' ' ' ASN . 42.1 p -119.12 148.83 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' CE1' ' A' ' 40' ' ' TYR . 24.5 m -86.88 -179.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -100.96 -44.14 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CE1' HG23 ' A' ' 38' ' ' VAL . 20.6 p90 -61.39 158.97 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -65.13 133.82 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -135.97 142.32 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.81 -32.39 65.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.421 ' C ' HG21 ' A' ' 120' ' ' VAL . 62.4 m -88.93 143.89 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 119' ' ' PHE . 47.0 mt -139.55 141.2 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 84' ' ' PHE . 12.0 p -107.36 123.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.15 115.35 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.46 147.35 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.2 m-20 66.13 26.68 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -129.67 -125.58 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.7 155.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.96 -48.79 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.39 -36.94 2.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.9 m-20 -86.26 33.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.8 15.82 3.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.3 t -93.58 107.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.9 p -79.86 162.0 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.47 -40.84 98.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.8 t-20 -73.41 -4.43 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -108.24 -18.97 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.6 tp -105.27 -39.59 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.41 -42.99 99.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.3 Cg_exo -47.95 -40.42 32.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -76.25 -30.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 50.5 mt -80.55 -12.45 59.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.08 -46.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -54.02 -31.78 52.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.6 m -81.11 -61.33 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.44 -167.31 10.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 mt -87.52 124.18 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.96 97.76 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.36 -45.64 62.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.8 131.48 13.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 tp -120.46 103.74 9.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 29.4 tp -82.6 125.26 30.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.8 mtp -128.16 96.08 32.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 136.25 32.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.755 2.303 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 141.17 44.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 58.12 41.99 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 30.9 mmtp -139.79 121.34 9.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.878 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.69 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 35' ' ' ILE . 24.7 p90 -127.56 144.4 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.7 m -129.79 177.88 6.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 46' ' ' VAL . 53.7 m-85 -135.68 129.1 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.1 153.87 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.449 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 13.2 ttp85 -130.92 103.74 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 44.8 m-85 -75.43 178.22 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.0 p -139.2 138.14 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.4 m -39.48 -59.04 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' THR . 51.3 mt-10 -33.95 -64.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -47.13 -57.38 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 2.7 t -43.27 -58.05 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 16.8 mtpp -51.84 -50.36 61.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -48.01 -44.13 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.44 ' CB ' ' OH ' ' A' ' 87' ' ' TYR . . . -74.39 -34.22 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 17.9 t80 -64.51 -36.89 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.8 t -89.86 -23.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.5 m -91.86 -60.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 65' ' ' LEU . 25.6 mt -57.84 -55.03 40.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -44.64 107.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.06 16.55 35.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -96.99 153.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.29 132.88 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.98 134.56 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.8 t -76.61 107.97 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.43 175.54 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.33 -41.02 50.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -61.11 -29.37 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.63 9.61 30.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -100.37 144.31 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -84.45 98.81 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 mt -92.06 159.87 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.4 m -109.92 97.9 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 16.2 mt -85.56 139.66 31.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -107.66 170.54 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.445 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.0 mp -142.92 126.61 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 42.2 m-20 -118.99 137.36 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 39.1 m-85 -67.19 117.0 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.421 HG21 ' C ' ' A' ' 44' ' ' SER . 2.7 m -118.63 153.54 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.22 -34.94 3.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -113.59 116.26 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.74 132.57 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.63 73.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.2 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -108.2 110.26 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.8 p -114.82 138.57 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.431 HG21 ' CE1' ' A' ' 40' ' ' TYR . 34.7 m -83.5 175.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -91.79 -45.56 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.431 ' CE1' HG21 ' A' ' 38' ' ' VAL . 13.0 p90 -66.1 172.15 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.51 148.51 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 p -146.05 127.13 14.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -39.8 -32.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -93.82 158.69 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 119' ' ' PHE . 33.6 mt -149.19 158.88 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 10.7 p -124.0 121.33 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.07 117.3 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.93 163.05 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 28.4 m-20 50.16 26.12 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.79 -127.76 3.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 155.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.561 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.5 mt -43.98 -52.71 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.54 -30.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.6 m-20 -91.71 32.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.63 29.18 31.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -106.03 110.67 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -79.94 162.97 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -68.85 -38.73 79.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.3 t-20 -73.1 -6.98 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -108.31 -19.21 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 20.1 tp -102.09 -40.59 6.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.0 tp -56.65 -42.65 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.954 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -48.01 -47.76 18.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.77 -27.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 100' ' ' LEU . 15.7 mt -83.58 -15.45 49.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.64 -47.01 9.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -37.59 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.8 m -73.93 -57.71 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.01 -169.09 14.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 122.46 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -90.7 104.11 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.47 -34.68 54.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.31 129.09 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -121.2 105.11 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.1 tp -89.38 126.32 35.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.4 mtp -127.39 98.14 29.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.04 29.5 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 143.17 49.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 60.73 32.19 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 20.7 mmtm -131.98 122.14 18.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 22.9 p90 -127.05 148.45 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.2 m -130.58 -179.98 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 123' ' ' VAL . 77.6 m-85 -133.74 129.76 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.14 145.83 41.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -126.24 114.7 18.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CE1' HD11 ' A' ' 45' ' ' LEU . 71.7 m-85 -91.63 168.31 11.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -79.49 -35.37 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p -137.29 148.07 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' GLU . 6.1 m -52.89 -57.63 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.9 mt-10 -34.12 -53.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.75 -56.01 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -43.85 -52.63 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -56.07 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -50.61 -42.69 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.01 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 17.3 t80 -68.61 -37.67 79.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.3 t -89.87 -21.55 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.3 m -92.15 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD1' HD22 ' A' ' 65' ' ' LEU . 27.0 mt -55.8 -54.12 48.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 37.8 t-20 -41.63 110.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.42 35.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.7 0.286 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -98.8 120.41 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.98 130.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 t -69.06 114.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.64 -175.19 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.06 -42.33 85.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.47 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.67 13.63 18.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.53 144.45 32.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -81.33 102.85 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.12 152.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.7 m -103.48 93.18 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 14.4 mt -81.21 141.79 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.48 170.91 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.418 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 6.8 mp -143.44 126.27 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 17.0 m-80 -119.32 144.23 46.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.564 ' CD1' HD21 ' A' ' 45' ' ' LEU . 34.4 m-85 -75.33 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.91 125.46 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.45 -40.43 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 4.8 ptmm? -139.09 168.01 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 84' ' ' PHE . 78.2 t -160.53 143.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.09 70.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 123' ' ' VAL . 83.7 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.787 0.327 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -98.26 121.37 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -124.42 133.94 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.28 -176.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -99.74 -48.88 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -60.0 169.31 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.52 138.89 43.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.7 p -138.33 130.01 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -42.73 -32.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -88.86 153.53 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 119' ' ' PHE . 51.1 mt -146.65 144.39 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 84' ' ' PHE . 13.7 p -109.6 122.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.72 112.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.46 159.41 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 54.27 25.51 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.81 -126.86 2.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 157.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . 24.1 mt -45.42 -53.11 9.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.46 -32.85 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -90.7 34.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.91 21.44 3.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 18.4 t -96.49 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 111.094 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -79.59 154.67 28.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -58.05 -42.98 86.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 9.9 t-20 -73.05 -3.2 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.09 -22.07 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.6 tp -102.5 -39.56 7.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.35 -42.93 98.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.97 -36.78 28.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 t -81.2 -27.99 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -81.59 -20.66 39.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.36 -45.64 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -52.02 -38.69 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.17 -56.15 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.02 -168.07 13.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.51 134.99 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.38 109.92 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.36 -52.17 10.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.04 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.66 99.33 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 21.1 tp -79.88 124.12 28.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.9 mtp -129.13 96.83 27.59 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.546 0.689 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 140.38 42.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.38 62.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 t30 51.94 37.76 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -133.92 121.25 15.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -123.07 154.44 38.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.7 m -137.71 -179.45 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 46' ' ' VAL . 64.9 m-85 -141.54 118.63 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.26 151.17 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.2 ttt180 -127.6 114.69 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -87.93 177.81 6.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -89.01 -46.62 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 60.1 p -125.58 126.61 45.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.473 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -33.67 -52.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.0 mt-10 -37.58 -54.17 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.92 -55.18 35.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -47.24 -52.63 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HE2' ' CG2' ' A' ' 90' ' ' THR . 21.2 mtmt -56.4 -50.53 71.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -48.37 -41.62 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -78.89 -34.5 44.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.701 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.3 t80 -64.19 -36.52 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t -89.5 -19.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -99.11 -64.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ALA . 26.7 mt -54.07 -48.21 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.5 t-20 -51.69 122.21 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.92 -17.69 55.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -74.26 154.56 38.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -104.94 151.52 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.01 145.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.64 112.15 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -75.89 -177.29 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.13 -39.06 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.02 -28.69 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.52 16.49 20.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -110.25 149.47 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -81.5 115.07 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.84 143.7 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.3 m -94.45 113.35 25.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.6 142.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -118.75 120.59 37.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.48 128.27 43.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.467 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 15.6 m-80 -119.73 145.59 46.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 27.8 m-85 -74.72 119.64 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.48 130.92 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.85 -41.05 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -134.22 157.68 45.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.506 HG11 ' CG ' ' A' ' 84' ' ' PHE . 97.8 t -156.8 130.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.08 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.538 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 95.4 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.43 120.24 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -121.67 134.31 54.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.432 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 26.7 m -78.53 -175.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t -104.27 -42.75 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -63.73 174.39 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 133.52 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.5 p -131.83 146.73 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -62.06 -18.2 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -105.26 152.03 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.522 HD21 ' CD1' ' A' ' 119' ' ' PHE . 42.5 mt -142.01 162.9 34.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 14.2 p -126.08 120.34 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.31 116.93 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.7 160.7 15.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.88 24.97 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . -125.9 -126.38 2.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 153.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -42.83 -49.66 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.87 -35.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 3.8 m120 -85.99 27.83 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 58.32 17.28 31.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.0 t -96.81 103.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -74.86 165.18 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -68.7 -39.49 80.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.93 -4.59 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -108.23 -16.94 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.8 tp -107.74 -39.55 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.8 tp -56.43 -42.84 98.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.0 Cg_exo -48.07 -38.13 31.56 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 t -79.82 -27.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 100' ' ' LEU . 37.1 mt -79.34 -16.74 55.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -89.84 -46.54 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.65 -32.62 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 m -83.64 -53.85 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.82 166.58 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.97 130.51 43.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.3 t -99.01 105.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.22 -51.63 29.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.98 127.35 9.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 tp -115.19 109.31 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 18.2 tp -89.29 126.38 35.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.4 mtp -129.02 96.96 27.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.542 0.686 . . . . 0.0 110.927 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.48 28.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 141.67 45.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.26 35.11 18.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 37.5 mmtt -134.96 123.77 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.9 Cg_endo -69.67 -6.75 19.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 28.9 p90 -120.29 152.74 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -139.32 177.19 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -133.5 138.06 45.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.78 145.07 49.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.9 ttt85 -123.47 108.63 12.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -80.25 164.53 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.34 -28.22 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -136.74 134.78 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 m -47.64 -50.13 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 15.4 pt-20 -42.93 -44.18 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 86.2 mt-10 -64.42 -56.01 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 t -43.89 -51.77 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -58.75 -50.98 71.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -49.8 -46.3 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -71.6 -34.14 69.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 28.5 t80 -63.32 -37.6 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.04 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.8 m -93.75 -62.07 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD1' HD21 ' A' ' 65' ' ' LEU . 28.6 mt -57.16 -49.81 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 49.9 t-20 -51.43 125.98 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.65 -12.74 58.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -72.94 157.43 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.06 136.69 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.75 146.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.415 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 30.9 t -88.22 109.0 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.06 -179.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.36 -36.89 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.85 -30.68 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.5 15.99 19.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -106.11 150.84 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -83.56 116.86 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.11 140.05 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.5 m -94.24 109.75 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.72 140.38 29.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -113.94 117.39 31.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 100' ' ' LEU . 6.9 mp -96.06 127.1 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.435 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m120 -118.97 153.56 34.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 40.2 m-85 -80.45 121.94 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 m -121.62 156.58 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 9.9 pt-20 -120.61 -32.39 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.53 121.17 43.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -144.54 125.1 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.22 72.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.5 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -102.06 122.83 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.9 p -122.12 144.08 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -90.53 -179.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.5 t -103.09 -41.98 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CE2' HG22 ' A' ' 42' ' ' THR . 22.8 p90 -68.68 166.52 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -66.8 139.74 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.405 HG22 ' CE2' ' A' ' 40' ' ' TYR . 72.2 p -141.16 129.61 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -46.85 -28.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -96.15 147.77 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -139.17 156.55 47.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.4 p -120.85 118.28 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.16 118.07 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.49 165.13 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.515 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 93.5 m-20 48.25 26.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.07 -126.8 2.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.573 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.78 156.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.8 mt -44.0 -51.14 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.05 -34.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.515 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.0 m-20 -88.42 32.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.77 23.33 14.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.1 103.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -74.25 167.68 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 74' ' ' LEU . 35.3 ttm180 -69.13 -41.42 77.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t30 -74.13 -2.96 26.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -108.17 -17.87 13.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 27.0 tp -108.21 -38.67 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.9 tp -56.8 -42.68 97.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.975 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.92 -37.34 29.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.62 -29.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.0 mt -80.41 -24.68 39.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -79.39 -47.14 16.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 68' ' ' CYS . 17.1 pttt -53.37 -39.47 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 m -77.26 -56.74 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.8 172.84 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.9 116.39 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.4 t -84.6 104.74 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.54 -34.38 47.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.64 122.89 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 18.3 tp -116.4 101.61 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 24.8 tp -84.74 124.99 32.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 69.3 mtp -126.92 98.52 30.56 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 134.99 29.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 141.65 45.61 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.66 40.6 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 31.1 mmtp -138.55 123.97 12.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.84 -1.93 9.38 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.5 p90 -127.05 152.84 46.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -138.56 176.8 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -132.38 133.4 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.02 156.26 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 8.7 ttp180 -134.95 118.32 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -91.34 171.6 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -84.49 -26.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -140.64 146.68 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -57.18 -54.86 41.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 17.2 pt-20 -38.42 -48.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 7.0 mm-40 -61.89 -56.56 18.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -43.3 -50.15 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -58.65 -48.18 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -49.59 -40.38 38.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -77.86 -33.58 52.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.7 t80 -64.88 -37.42 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 t -88.0 -19.8 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.163 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.2 m -98.6 -62.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 96' ' ' ALA . 31.9 mt -54.41 -48.49 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.0 t-20 -54.61 119.44 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.2 -8.44 77.6 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -79.88 149.54 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.21 146.3 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.32 138.05 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.34 111.3 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 5.5 p30 -67.42 -176.46 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -38.17 83.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.442 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 27.3 mt -65.57 -30.84 71.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.65 15.25 10.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -105.3 146.95 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -84.77 125.44 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -118.21 147.4 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.6 m -98.82 102.35 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -88.47 150.51 23.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -125.6 117.84 24.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 100' ' ' LEU . 7.2 mp -96.05 125.56 40.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.97 141.78 48.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 45' ' ' LEU . 25.9 m-85 -67.7 125.88 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 144.3 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -107.3 -32.71 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -110.56 129.2 55.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' TRP . 58.2 t -151.96 121.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -60.65 77.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.7 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -112.12 121.47 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 27.0 p -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.93 -179.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -98.01 -46.78 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE2' HG23 ' A' ' 42' ' ' THR . 25.5 p90 -64.46 171.64 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 124.63 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.439 HG23 ' CE2' ' A' ' 40' ' ' TYR . 20.6 p -114.02 154.07 28.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.58 -16.39 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -111.34 154.65 24.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 119' ' ' PHE . 83.6 mt -138.44 160.36 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 11.3 p -123.5 117.49 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.06 121.31 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.44 161.73 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.475 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 90.0 m-20 49.82 25.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -124.4 -127.21 3.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.15 153.17 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.41 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.3 mt -43.45 -49.98 7.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.05 -36.32 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.5 m-20 -84.47 28.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 56.71 22.1 38.77 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.27 106.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.2 m -79.19 155.76 28.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 7.9 ttp-105 -59.43 -42.18 91.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t30 -71.16 -2.97 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -108.09 -26.46 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.0 tp -97.39 -39.82 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.2 tp -56.24 -43.02 99.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.91 -35.21 24.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -81.03 -28.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.08 -19.85 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.21 -47.1 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -38.03 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 m -71.65 -61.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.86 -176.71 23.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.51 125.91 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.0 t -94.99 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.46 -54.71 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.66 126.32 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 tp -111.12 100.49 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 25.8 tp -80.97 120.87 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.8 mtp -124.01 96.72 41.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 134.41 28.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.412 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.52 45.47 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 62.06 34.04 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 29.1 mmtt -132.47 124.1 18.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -4.3 13.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 19.5 p90 -125.13 159.32 31.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -140.81 177.72 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -135.21 122.88 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.12 141.79 42.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 21.5 ttp180 -118.27 114.48 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.9 m-85 -88.95 154.97 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.66 -36.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.4 p -136.64 132.2 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.8 m -38.69 -53.13 1.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 90' ' ' THR . 4.6 mt-10 -34.38 -55.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.7 -56.59 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.449 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 40.6 t -43.31 -52.71 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -57.18 -50.6 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -51.94 -41.48 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.57 -32.75 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 22.8 t80 -66.29 -37.9 86.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.1 t -90.03 -18.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.0 m -97.25 -63.35 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.427 ' CD1' HD21 ' A' ' 117' ' ' LEU . 26.7 mt -56.13 -49.32 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.8 t-20 -52.37 122.53 8.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.43 1.27 89.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -83.63 150.41 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -93.87 130.14 40.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.33 134.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 82.3 t -77.34 123.69 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.49 -174.92 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -53.56 -43.8 68.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.93 -28.94 69.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.59 6.8 40.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -93.06 151.33 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.67 108.59 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 mt -103.81 148.6 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.4 m -102.74 99.44 9.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.95 141.48 31.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -113.94 119.58 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 100' ' ' LEU . 8.3 mp -96.14 129.18 43.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.448 ' HB3' ' CG2' ' A' ' 37' ' ' THR . 34.4 m-20 -121.32 149.03 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 45' ' ' LEU . 36.0 m-85 -75.77 114.6 14.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.0 m -117.08 138.39 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 6.8 pt-20 -103.72 -36.27 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 121' ' ' GLU . 28.6 mmtp -107.69 117.79 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.409 ' HB ' ' NE1' ' A' ' 125' ' ' TRP . 89.3 t -139.7 133.77 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 70.71 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.7 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.46 121.01 41.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.0 p -117.55 131.88 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.7 m -79.35 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -88.62 -42.01 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 51.7 p90 -65.69 157.32 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.47 141.17 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.431 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 57.6 p -142.65 137.08 29.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -51.15 -39.54 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -83.42 154.21 24.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 119' ' ' PHE . 60.5 mt -145.95 155.76 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' CE1' ' A' ' 84' ' ' PHE . 11.3 p -117.47 121.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.87 112.74 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.89 160.73 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 76.8 m-20 50.83 30.15 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -130.18 -127.27 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.51 155.53 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.401 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -43.19 -51.15 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.386 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.17 -35.15 1.03 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.9 m-20 -88.08 34.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.58 28.66 10.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 38.3 t -105.11 105.0 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -77.71 156.89 30.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.54 -41.17 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t-20 -74.12 -4.04 33.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -108.19 -16.34 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 30.6 tp -108.98 -39.42 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.38 -42.83 98.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.06 -40.52 33.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 t -76.91 -27.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 100' ' ' LEU . 12.0 mt -82.18 -15.89 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.74 -40.62 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -58.1 -34.64 70.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.9 m -75.08 -50.45 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.49 -155.17 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.6 129.92 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.57 109.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.52 -46.02 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.56 130.05 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.1 tp -116.09 107.18 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 21.0 tp -87.58 123.24 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.8 mtp -126.25 95.28 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.677 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.5 33.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.62 48.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 58.78 37.01 25.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -135.11 120.97 14.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.529 0.681 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.25 6.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.49 151.53 49.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -136.13 173.77 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 46' ' ' VAL . 45.2 m-85 -132.54 121.66 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.44 148.95 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.42 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.5 ttt180 -123.85 117.01 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -89.79 159.66 16.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.464 ' CD ' HG23 ' A' ' 89' ' ' THR . 3.9 tmt_? -73.34 -38.95 65.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.464 HG23 ' CD ' ' A' ' 88' ' ' ARG . 11.0 p -131.21 139.45 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -46.01 -54.46 8.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.91 -57.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.1 -56.75 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -45.91 -58.37 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.09 -50.25 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -48.33 -46.83 36.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.95 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.672 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 19.8 t80 -65.92 -39.57 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -90.16 -16.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m -97.18 -60.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 65' ' ' LEU . 35.5 mt -60.02 -53.4 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.1 t-20 -44.56 125.31 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.0 -31.1 6.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -62.83 155.78 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -102.83 137.84 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 m -127.88 130.49 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.32 105.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.84 -178.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.1 -38.96 84.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.2 -20.99 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.84 20.22 22.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -108.5 145.87 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -80.77 110.89 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.8 mt -106.32 147.15 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 m -99.81 106.76 18.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.7 mt -96.43 137.14 35.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -113.39 122.97 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.437 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.4 mp -97.19 129.15 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.6 m120 -120.82 143.46 48.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 34.5 m-85 -72.23 126.59 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.431 ' N ' ' HG1' ' A' ' 42' ' ' THR . 27.8 m -131.34 164.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.08 -37.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -107.7 119.36 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.01 129.26 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.63 76.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.484 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.2 m95 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.9 106.25 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.6 p -100.47 144.06 29.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.09 172.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -90.65 -49.56 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -59.84 162.47 5.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -77.58 126.76 31.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -120.16 164.04 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -72.02 -23.7 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.78 147.13 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 119' ' ' PHE . 38.4 mt -135.75 161.69 34.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 9.9 p -126.42 121.47 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.35 115.44 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.6 151.9 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 60.96 25.96 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.61 -126.1 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.4 156.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -43.77 -51.39 7.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.87 -32.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.4 m-20 -91.65 34.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.37 29.14 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.31 106.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -79.85 161.37 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -64.45 -40.07 95.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 48.8 m-20 -73.94 -3.82 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -108.18 -18.03 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 19.5 tp -107.13 -39.05 5.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.83 -42.59 97.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.4 Cg_exo -47.97 -38.39 31.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.75 2.3 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.73 -32.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 100' ' ' LEU . 34.8 mt -77.21 -13.06 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.23 -42.38 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -59.14 -38.66 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 m -71.31 -45.55 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.8 -160.05 10.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.21 125.94 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.54 106.46 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.72 -48.46 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.64 125.7 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 tp -115.83 103.79 11.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.85 127.61 34.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.8 mtp -130.13 96.54 25.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 137.17 34.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 146.01 59.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.63 33.47 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -132.29 120.43 17.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 0.42 5.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -126.05 149.19 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -131.49 178.82 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 46' ' ' VAL . 66.0 m-85 -138.14 126.31 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.93 149.52 33.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -126.72 102.03 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 53.9 m-85 -76.21 157.41 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.427 ' CD ' HG23 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.3 -37.39 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.427 HG23 ' CD ' ' A' ' 88' ' ' ARG . 6.3 p -133.8 143.35 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -49.02 -53.23 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -38.68 -64.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.89 -56.41 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 t -42.46 -56.69 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 38.4 mtpt -53.35 -50.27 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -47.09 -40.73 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.02 -35.63 42.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.4 t80 -62.7 -35.29 79.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -90.01 -20.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -97.63 -63.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 65' ' ' LEU . 20.2 mt -54.09 -44.64 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 42.9 t-20 -56.33 113.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.08 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -78.55 157.75 28.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -106.01 134.04 49.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m -132.02 125.52 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.49 109.18 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -178.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -42.43 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -25.32 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.96 14.66 24.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -106.56 142.29 36.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -82.18 125.83 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.3 mt -122.14 143.27 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.3 m -91.88 111.14 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.32 135.66 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -110.38 125.59 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.6 mp -99.28 129.1 45.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 9.1 m120 -121.18 140.68 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.4 m-85 -69.5 122.95 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.0 m -126.7 146.46 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.44 -38.34 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.409 ' C ' HG23 ' A' ' 123' ' ' VAL . 40.2 mttt -107.91 125.66 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 122' ' ' LYS . 96.4 t -141.68 144.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.31 66.21 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 93.7 m95 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD12 ' CG ' ' A' ' 82' ' ' TYR . 76.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -100.28 127.37 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -123.46 144.24 49.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.9 179.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -98.95 -46.92 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -62.25 159.31 15.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 136.93 56.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.9 p -132.78 136.3 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -51.55 -28.66 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 86' ' ' ARG . 7.2 m -97.43 161.36 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 119' ' ' PHE . 60.5 mt -147.31 166.11 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 11.9 p -129.86 115.66 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.71 122.71 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.54 163.68 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 47.74 27.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.01 -129.85 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.37 156.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 55' ' ' GLY . 18.3 mt -44.95 -52.54 8.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.899 0.38 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.0 0.33 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.66 36.54 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 47.64 32.85 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -107.65 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -78.61 158.11 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -63.5 -39.54 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.6 m-20 -74.46 -5.2 41.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -108.15 -15.0 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.0 tp -109.43 -40.02 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.0 tp -55.92 -43.09 99.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.6 Cg_exo -47.94 -43.0 30.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.9 t -71.61 -28.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 100' ' ' LEU . 14.4 mt -81.51 -19.28 42.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.2 -47.39 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -34.72 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.3 m -78.64 -50.01 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.89 -175.92 28.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 47.7 mt -76.97 134.08 38.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -105.88 109.45 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.35 -51.91 10.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 127.52 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 tp -111.55 108.4 17.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 24.9 tp -85.21 127.23 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 mtp -130.04 94.8 30.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.6 30.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.758 2.305 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.83 46.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 59.63 37.43 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 24.1 mmtp -135.69 121.07 13.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.0 Cg_endo -69.83 0.73 5.27 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.429 ' CG ' HD12 ' A' ' 35' ' ' ILE . 11.4 p90 -130.77 147.98 52.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.0 m -131.08 176.09 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -134.08 125.21 27.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.73 150.08 28.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.539 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt85 -125.94 102.95 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -76.29 156.13 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -74.16 -30.13 62.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -137.21 144.13 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 m -52.74 -59.36 4.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 39.9 mt-10 -34.44 -60.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.404 ' OE1' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -50.31 -54.53 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -46.07 -59.64 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -50.69 -51.63 47.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -47.27 -42.17 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -76.08 -33.17 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.8 t80 -65.29 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.57 -17.88 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.0 m -100.85 -62.81 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 96' ' ' ALA . 29.1 mt -53.88 -49.01 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 116' ' ' TYR . 54.2 t-20 -54.25 109.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.07 -19.76 42.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.97 148.19 47.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -91.36 142.55 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.46 138.32 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.74 116.34 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -74.16 177.27 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.63 -31.35 64.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.0 -30.26 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.81 20.98 8.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.11 150.95 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -81.55 125.53 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.55 141.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -93.23 106.24 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.64 135.28 39.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.496 ' CD2' ' OD1' ' A' ' 101' ' ' ASN . 34.6 m-85 -112.07 127.49 55.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.96 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.419 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.9 m-80 -119.38 143.76 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.8 m-85 -70.37 127.1 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -128.31 150.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.48 -34.1 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -116.25 122.55 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.28 130.95 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -66.01 76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 82' ' ' TYR . 94.8 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.811 0.338 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -115.5 125.4 53.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 33.1 p -115.95 151.29 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 16.9 m -84.81 -179.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -94.07 -47.56 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -64.7 161.06 18.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.5 147.02 53.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' SER . 29.6 p -142.39 126.53 17.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -38.15 -31.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.4 p -95.1 157.67 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 119' ' ' PHE . 50.1 mt -147.01 151.95 37.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 14.9 p -115.99 120.98 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.2 122.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 159.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.0 m-20 53.71 26.23 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.81 -127.4 3.08 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 156.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.515 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -43.66 -50.85 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.25 -34.79 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.493 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -87.54 32.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 53.26 19.63 8.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.445 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 64.8 t -97.41 106.99 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m -80.69 159.59 25.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -60.8 -42.07 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.2 t-20 -74.56 -3.46 31.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.13 -16.11 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 26.0 tp -110.04 -38.56 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.94 -42.75 97.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.5 Cg_exo -47.95 -36.94 28.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.4 t -79.7 -30.41 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.7 mt -79.3 -14.96 58.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.96 -46.03 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.95 45.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -82.05 -69.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.57 -178.94 15.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -77.16 131.55 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.0 103.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.29 -53.9 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.46 123.58 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -109.89 101.75 10.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 27.0 tp -82.62 125.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtp -127.53 95.73 34.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.63 30.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 142.92 49.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.632 2.221 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.83 36.95 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 43.8 mmtt -136.11 122.67 14.1 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.685 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.8 12.79 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 36.3 p90 -122.18 155.97 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.9 m -142.22 170.51 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 123' ' ' VAL . 53.1 m-85 -127.86 136.97 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.08 153.07 40.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.498 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 5.0 ttt180 -130.19 106.19 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -78.86 158.56 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -74.48 -26.41 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -139.81 149.08 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -59.85 -49.7 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 10.1 pt-20 -44.16 -48.11 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 37.2 mm-40 -59.4 -57.58 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -41.47 -54.22 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -56.19 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -50.02 -39.62 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.61 -34.5 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 23.0 t80 -63.98 -35.5 80.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.4 t -89.9 -19.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -98.62 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 65' ' ' LEU . 19.7 mt -54.42 -48.14 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.4 t-20 -54.35 120.58 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.23 -9.86 76.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -76.8 146.34 37.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -94.25 134.72 36.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 115' ' ' LEU . 23.5 m -134.32 131.07 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.94 108.97 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.63 175.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.13 -32.59 55.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.95 -34.25 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.52 10.0 15.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -102.77 141.07 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.967 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -78.39 121.06 24.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.0 mt -117.65 140.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 m -91.07 104.64 17.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 105' ' ' VAL . 11.2 mt -88.8 139.16 30.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -116.54 121.81 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' CB ' ' A' ' 100' ' ' LEU . 6.8 mp -101.6 128.96 47.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.442 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.9 m120 -119.01 151.98 37.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' A' ' 45' ' ' LEU . 17.0 m-85 -78.46 108.18 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.4 m -104.26 134.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.475 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 4.3 pt-20 -87.67 -43.26 12.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -123.77 139.8 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.514 HG13 ' CG ' ' A' ' 84' ' ' PHE . 87.0 t -140.99 141.98 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.429 ' N ' HG12 ' A' ' 123' ' ' VAL . 60.1 mt-30 -74.76 74.97 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 98.9 m95 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 82' ' ' TYR . 79.5 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.17 118.96 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.1 p -114.81 146.98 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 m -91.51 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -98.31 -31.83 11.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -76.11 174.45 10.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.58 138.76 36.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.8 p -139.57 129.51 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -42.27 -34.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.4 m -89.66 153.26 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 119' ' ' PHE . 63.0 mt -142.75 160.06 41.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 11.2 p -122.52 118.56 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.63 116.29 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.25 158.26 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.471 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.7 m-20 53.68 26.42 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.28 -127.24 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 157.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.467 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.9 mt -44.48 -51.05 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.24 -34.33 0.94 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.7 m-20 -89.72 33.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.14 35.85 27.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.401 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 76.5 t -112.31 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -76.1 161.69 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -65.93 -42.1 90.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 25.1 t-20 -73.34 -3.94 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.18 -19.43 13.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.2 tp -105.02 -39.38 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -56.76 -42.69 97.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -47.97 -37.46 29.64 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.36 -27.66 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 54.9 mt -80.85 -18.58 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.4 -46.52 9.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -53.41 -30.92 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -85.79 -59.38 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.39 176.14 23.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.78 119.99 21.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.19 105.08 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.98 -42.93 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.89 123.96 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 tp -107.91 105.99 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.412 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 16.7 tp -87.43 122.5 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.6 mtp -125.07 97.42 37.96 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.599 0.714 . . . . 0.0 110.843 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 137.69 35.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 143.92 52.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.603 2.202 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 54.77 41.41 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -138.47 122.69 11.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.529 0.68 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.32 13.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CD2' HD13 ' A' ' 35' ' ' ILE . 34.9 p90 -122.35 158.53 29.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.2 m -143.64 178.71 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CG ' HG12 ' A' ' 123' ' ' VAL . 43.4 m-85 -138.05 136.1 36.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.31 151.99 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.3 ttt180 -129.92 112.69 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -81.53 179.27 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -92.41 -31.33 15.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -136.32 135.86 39.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -43.79 -56.95 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' THR . 26.2 mm-40 -37.45 -51.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -55.6 -59.82 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -41.82 -55.83 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -53.95 -49.09 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -49.74 -42.96 47.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -75.2 -37.63 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.1 t80 -61.45 -37.17 82.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -90.05 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.8 m -96.58 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' ALA . 37.6 mt -54.92 -48.77 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 43.3 t-20 -51.55 124.45 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.07 55.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.54 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -73.21 156.36 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -103.28 135.88 44.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -132.27 136.69 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.45 107.61 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.21 177.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.94 -46.0 71.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.54 -28.59 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.01 5.8 28.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.573 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -99.78 144.25 29.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -77.73 134.08 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -126.94 147.92 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.2 m -98.19 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 13.2 mt -95.46 133.32 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -105.29 120.99 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.19 127.81 42.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 27.0 m-80 -119.61 146.4 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 37.4 m-85 -73.21 129.44 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.9 m -125.95 131.41 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.14 -34.48 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -138.9 159.35 42.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 84' ' ' PHE . 81.4 t -155.32 153.28 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -80.82 59.08 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.538 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.4 m95 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.444 HD13 ' CD1' ' A' ' 82' ' ' TYR . 88.2 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -100.81 113.28 26.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 p -112.3 146.16 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.29 -178.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 t -99.77 -48.74 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -60.8 155.6 19.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 145.1 46.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.416 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 66.3 p -149.32 126.29 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -41.55 -29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -91.05 144.4 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 119' ' ' PHE . 54.0 mt -140.86 145.49 36.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 84' ' ' PHE . 10.7 p -108.16 117.44 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.82 116.37 26.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.82 158.59 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.6 m-20 53.64 26.56 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.92 -127.99 3.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 158.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -44.78 -51.99 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.01 -33.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.6 m-20 -89.34 32.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.55 27.13 17.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.5 t -104.03 104.61 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -79.88 158.0 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.96 -40.62 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.2 t-20 -74.1 -6.3 46.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.18 -15.74 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -107.39 -39.66 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -56.92 -42.65 97.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.02 -35.63 25.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.456 ' CG1' ' HE2' ' A' ' 67' ' ' LYS . 45.6 t -80.8 -31.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -79.73 -12.53 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.56 -43.28 11.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HE2' ' CG1' ' A' ' 64' ' ' VAL . 3.6 pttm -62.85 -34.97 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.2 m -74.88 -45.85 40.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.57 -177.74 36.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 mt -75.93 123.17 25.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.6 t -91.4 104.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.96 -51.14 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.08 121.91 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.86 100.99 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 26.7 tp -81.3 121.93 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.0 mtp -124.51 95.91 42.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 138.48 37.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.22 37.56 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.557 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 22.5 mmtp -135.34 121.4 14.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -5.0 15.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.3 p90 -120.54 155.04 34.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -142.24 169.91 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 46' ' ' VAL . 26.4 m-85 -128.07 122.97 33.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.64 138.82 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.517 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt180 -117.03 123.0 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.0 m-85 -93.96 -177.53 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -96.97 -34.2 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 65.0 p -137.17 125.9 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -33.56 -56.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' THR . 15.9 mm-40 -35.6 -50.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -61.49 -49.02 78.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.5 t -52.28 -53.95 37.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HE2' ' CG2' ' A' ' 90' ' ' THR . 18.4 mtmt -54.78 -48.69 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -49.94 -45.53 51.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.6 -33.48 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.498 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 25.7 t80 -65.04 -39.52 93.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.989 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.11 -19.31 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.1 m -95.33 -63.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.1 t-20 -47.67 120.95 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.41 -27.33 10.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.96 156.41 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.74 0.305 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -105.04 138.92 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.64 138.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.454 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 43.2 t -77.0 113.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.07 -178.56 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -54.15 -41.85 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.2 -27.95 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.454 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 106.38 7.05 35.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -99.87 138.22 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -74.65 129.13 37.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.6 mt -123.85 144.38 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -90.45 109.3 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mt -96.05 135.27 38.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.5 120.37 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 97' ' ' TYR . 8.4 mp -98.16 128.48 44.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.446 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 3.9 m120 -119.51 139.83 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.521 ' CD1' HD23 ' A' ' 45' ' ' LEU . 28.2 m-85 -66.34 124.05 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.416 ' N ' ' HG1' ' A' ' 42' ' ' THR . 35.4 m -126.6 144.97 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -108.04 -31.75 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -118.16 127.58 53.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.409 HG11 ' CB ' ' A' ' 84' ' ' PHE . 55.8 t -145.14 130.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.88 73.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 96.8 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.8 127.57 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 41.7 p -121.39 138.4 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.404 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 31.1 m -79.82 174.26 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -95.41 -44.35 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 23.2 p90 -62.68 166.95 4.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -71.17 143.1 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 p -139.64 146.38 39.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.56 -27.95 69.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -96.01 154.15 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 119' ' ' PHE . 66.1 mt -144.49 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 14.5 p -105.22 118.03 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -84.47 113.88 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.36 166.6 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 46.71 26.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.55 -128.62 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 154.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -43.07 -53.63 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.94 35.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.69 35.34 23.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG22 ' CG ' ' A' ' 107' ' ' ASP . 68.2 t -111.54 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -82.65 156.37 23.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -62.52 -39.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -71.89 -7.56 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.1 -21.37 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.0 tp -98.86 -40.83 7.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.73 -42.77 98.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -48.06 -39.66 33.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.296 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.75 -29.4 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.4 mt -81.22 -19.57 42.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 32.7 mt-10 -83.76 -45.01 13.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -54.01 -33.17 56.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 m -80.89 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.03 -175.72 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.81 126.86 32.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -94.93 107.01 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 1.1 p30 -79.16 -48.11 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -148.09 124.85 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -117.18 107.99 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 20.0 tp -88.84 123.09 32.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.0 mtp -124.73 95.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.57 25.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.53 42.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 63.49 33.41 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 67.0 mmtt -134.02 122.32 16.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.7 Cg_endo -69.87 -1.58 8.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 24.7 p90 -125.84 151.01 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.948 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 m -137.1 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.06 129.56 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.97 144.48 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -122.96 118.09 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.3 167.42 12.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -78.5 -40.47 35.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.3 p -127.83 147.08 50.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 m -52.02 -57.31 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' THR . 28.4 mt-10 -35.92 -58.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -48.01 -60.56 2.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -40.09 -58.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 37.8 mtpt -52.14 -51.15 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -48.46 -45.68 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.654 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 24.5 t80 -67.15 -37.92 84.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.3 -21.67 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.9 m -92.96 -63.91 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 65' ' ' LEU . 28.2 mt -55.21 -53.16 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.0 t-20 -48.89 122.23 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.16 -24.27 25.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -69.02 154.22 42.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -100.12 140.65 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.54 139.72 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.9 108.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.4 ' CG ' HG22 ' A' ' 56' ' ' VAL . 10.1 m-20 -72.56 176.03 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -52.48 -32.53 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.36 -29.42 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.62 12.3 30.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -111.91 141.41 45.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -74.6 123.29 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.4 mt -120.71 140.32 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -90.41 104.41 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.9 mt -88.1 149.09 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.65 118.26 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.93 128.44 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.448 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 5.5 m120 -119.29 142.96 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.654 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 25.2 m-85 -69.9 116.16 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.25 150.24 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.47 -37.18 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -113.37 121.33 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 125' ' ' TRP . 90.4 t -140.51 128.49 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.26 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 95.2 m95 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -99.25 115.89 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -122.03 132.64 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.8 m -82.22 177.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t -95.4 -41.63 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -72.28 158.09 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -55.83 151.36 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.52 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 7.2 p -149.65 136.82 19.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.188 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -45.82 -44.01 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.58 156.2 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 119' ' ' PHE . 39.9 mt -146.96 142.0 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 7.1 p -105.15 120.54 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.43 107.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.9 167.84 18.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 47.8 25.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.31 -129.19 3.17 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.452 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 152.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -42.12 -50.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.57 -35.75 1.43 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.512 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.9 m-20 -85.4 28.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.81 24.66 34.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.557 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.99 105.98 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -76.45 159.55 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.99 -39.31 93.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 8.6 m120 -73.87 -4.02 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -108.42 -16.19 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.9 tp -109.18 -40.46 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -55.11 -43.2 98.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.996 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.6 Cg_exo -47.98 -36.66 28.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.333 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.1 t -81.7 -23.79 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.19 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.43 -13.15 50.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -92.06 -42.33 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -34.45 74.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 m -79.08 -52.36 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.72 -169.81 16.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.2 mt -89.08 126.77 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.53 105.79 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.29 -49.46 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.08 124.11 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 tp -115.64 105.7 13.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -86.93 123.54 32.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.6 mtp -124.37 96.96 40.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.474 0.654 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.65 26.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 140.34 42.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.745 2.297 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 61.7 38.55 15.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 53.9 mmtt -137.63 122.62 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 1.45 4.41 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.622 2.215 . . . . 0.0 112.339 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.534 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 23.6 p90 -131.18 148.53 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.6 m -130.44 -179.78 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -137.57 120.8 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.42 146.83 32.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.491 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.2 ttp180 -122.15 103.54 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 44.1 m-85 -77.26 153.34 34.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -41.75 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.9 p -130.08 146.94 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -53.03 -51.0 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.59 -50.79 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.82 -55.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 4.1 t -44.8 -56.36 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 18.0 mtpp -52.9 -49.99 64.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -47.65 -42.96 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -74.66 -39.93 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -58.2 -35.85 72.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.5 t -90.18 -22.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.5 m -95.24 -64.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 96' ' ' ALA . 16.4 mt -53.66 -48.41 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.2 t-20 -51.59 123.09 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.83 -17.48 45.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 49.4 tttm -66.98 155.93 37.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 6.5 mp0 -104.88 147.86 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.3 m -149.05 147.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.1 t -86.44 115.15 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.94 -177.38 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -55.07 -45.69 75.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.4 mt -60.18 -29.93 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.26 11.88 24.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -96.68 144.76 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -79.75 101.65 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.63 152.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 m -105.83 101.17 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.1 134.47 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -104.56 165.33 11.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.9 mp -139.44 126.15 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.463 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.0 m-20 -120.28 135.25 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -65.23 124.77 23.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.52 ' N ' ' HG1' ' A' ' 42' ' ' THR . 24.5 m -123.96 126.19 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.89 -41.6 61.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -132.76 149.87 52.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.74 153.83 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -79.51 45.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.491 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 91.3 m95 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.752 0.31 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -102.25 130.39 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 42.9 p -129.76 148.86 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.91 174.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -91.73 -49.59 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.6 159.12 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 94' ' ' LYS . . . -59.34 143.33 49.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -141.94 123.82 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -41.49 -31.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.9 m -94.51 142.05 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -134.46 145.82 49.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 84' ' ' PHE . 14.7 p -112.28 119.75 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.03 112.11 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.15 163.27 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 51.31 25.34 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.22 -127.77 3.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.34 157.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 55' ' ' GLY . 23.7 mt -45.38 -51.62 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.43 -32.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m120 -89.9 34.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.19 17.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.55 102.43 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -76.67 169.24 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -68.74 -39.42 80.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.9 t30 -72.73 -5.01 34.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -108.16 -22.23 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.2 tp -100.27 -41.54 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -54.64 -43.72 98.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.624 0.726 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.0 Cg_exo -47.94 -34.9 23.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.5 t -87.45 -20.51 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 100' ' ' LEU . 95.9 mt -87.65 -12.47 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 49.4 mt-10 -88.96 -48.81 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 -44.91 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -58.52 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.93 -158.5 8.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.1 mt -85.85 125.65 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -88.5 103.96 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -70.04 -53.21 18.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.69 130.12 12.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 tp -114.48 97.47 6.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 18.6 tp -80.5 123.42 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtp -127.44 95.68 35.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.11 34.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.2 53.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.7 m120 56.19 38.78 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -136.91 121.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.3 Cg_endo -69.8 -4.62 14.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -123.68 146.18 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -130.17 -179.8 5.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD1' HG11 ' A' ' 123' ' ' VAL . 44.8 m-85 -139.81 126.86 20.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.49 156.69 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.59 114.81 13.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 50.3 m-85 -84.03 175.48 9.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -87.14 -34.33 19.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -138.58 132.71 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -38.03 -57.57 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' THR . 53.6 mt-10 -32.66 -61.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.66 -62.38 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.458 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 11.8 t -38.76 -52.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 41' ' ' ALA . 7.4 mtmp? -57.08 -48.82 77.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -49.56 -41.53 41.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -76.7 -35.37 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.626 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 13.0 t80 -63.1 -36.92 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.02 -19.46 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.9 m -95.35 -63.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 65' ' ' LEU . 15.1 mt -56.23 -52.58 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -46.59 124.31 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.36 -27.96 6.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -57.07 163.09 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.57 126.95 55.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.12 141.08 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.2 t -82.04 113.27 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.53 169.98 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -49.13 -33.46 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.95 -30.06 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.49 25.92 7.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -118.03 140.87 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -73.5 114.72 12.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.1 mt -108.95 145.24 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 m -99.31 105.82 17.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.4 mt -93.82 140.17 29.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -115.89 121.6 42.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.7 128.98 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.445 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.6 m120 -119.61 138.02 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.626 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -68.89 107.07 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 m -104.43 128.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.6 -40.65 66.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -135.61 161.4 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 84' ' ' PHE . 97.2 t -159.01 135.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -59.81 77.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' VAL . 98.9 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 HD11 ' CD2' ' A' ' 82' ' ' TYR . 82.4 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -105.26 119.64 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 p -116.07 134.75 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 42' ' ' THR . 17.0 m -78.08 -176.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -103.89 -45.07 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -68.91 157.29 36.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB1' ' CG ' ' A' ' 94' ' ' LYS . . . -61.51 134.45 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.4 ' CG2' HG23 ' A' ' 38' ' ' VAL . 52.3 p -134.53 128.59 33.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -42.39 -31.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -91.78 141.68 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 119' ' ' PHE . 40.4 mt -136.05 152.44 50.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 84' ' ' PHE . 14.0 p -117.85 123.19 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 117.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.08 152.83 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.21 24.97 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.98 -127.56 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 152.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 mt -41.83 -49.94 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -36.26 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.45 32.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.58 29.44 48.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.15 115.76 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.091 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.0 p -86.49 158.78 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -61.33 -42.11 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.0 t-20 -74.35 -3.69 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -108.19 -16.41 14.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 24.1 tp -109.26 -38.4 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.7 tp -57.45 -42.44 95.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.9 Cg_exo -47.99 -42.71 31.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 100' ' ' LEU . 48.7 t -72.82 -24.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 100' ' ' LEU . 21.8 mt -85.65 -20.48 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -86.19 -43.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -53.04 -36.48 60.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -74.39 -63.26 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.93 -152.53 5.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.5 mt -97.29 125.6 41.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.94 106.79 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.42 -47.28 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.58 135.74 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.4 tp -120.44 100.88 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.63 120.23 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtp -122.68 96.15 45.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.16 32.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.802 2.335 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.92 46.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.5 37.38 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -136.57 121.92 13.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.33 9.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.3 p90 -124.84 154.16 41.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -137.93 -179.9 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' CE1' HG23 ' A' ' 46' ' ' VAL . 58.1 m-85 -136.95 128.52 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.38 153.25 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -128.89 111.09 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 45.8 m-85 -86.42 146.67 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' CD ' HG21 ' A' ' 89' ' ' THR . 0.0 OUTLIER -59.34 -34.98 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.461 HG21 ' CD ' ' A' ' 88' ' ' ARG . 17.3 p -143.37 129.25 19.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -34.23 -55.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' THR . 62.1 mm-40 -34.55 -55.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.83 -45.09 90.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.7 t -55.24 -52.83 62.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 90' ' ' THR . 18.1 mtmt -55.34 -46.19 76.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -52.43 -43.48 64.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -75.66 -35.08 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 22.2 t80 -62.96 -36.18 82.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.2 t -90.2 -18.56 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.5 m -97.03 -63.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' LYS . 15.5 mt -55.99 -51.45 67.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 30.8 t-20 -42.21 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 105.43 21.85 8.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 100' ' ' LEU . 9.1 ttpp -89.95 163.26 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -110.37 128.52 55.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 m -138.96 132.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.25 109.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.28 179.36 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.74 -41.82 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.65 -30.53 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.7 14.95 14.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -112.29 134.67 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.95 111.21 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.2 mt -100.45 161.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -103.88 105.64 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.11 128.68 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.68 167.34 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -143.4 127.77 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -122.34 147.25 46.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.6 m-85 -76.43 113.99 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.69 151.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.18 -33.06 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -112.09 126.22 54.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.51 137.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.17 72.69 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' A' ' 82' ' ' TYR . 78.6 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.845 0.355 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.38 127.91 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -126.4 137.12 53.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.5 m -80.96 -176.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -103.0 -44.62 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 13.9 p90 -63.06 170.3 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -74.5 138.3 43.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.505 HG23 ' CE2' ' A' ' 40' ' ' TYR . 40.4 p -135.12 137.83 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -55.18 -22.51 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -102.63 151.16 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -139.86 150.32 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 9.3 p -111.38 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.32 109.99 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.58 162.06 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 51.87 25.05 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.24 -130.41 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.82 152.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -40.81 -51.98 3.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.94 -37.33 0.97 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -86.41 33.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.88 36.04 25.91 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.93 110.29 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -80.88 155.6 26.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 74' ' ' LEU . 56.3 ttt180 -62.75 -38.58 91.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 72.2 m-20 -72.7 -5.9 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -108.24 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 15.1 tp -102.13 -40.81 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.3 tp -55.85 -43.07 99.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.9 -34.28 21.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 100' ' ' LEU . 39.9 t -82.01 -27.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 100' ' ' LEU . 17.7 mt -81.38 -20.52 40.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -82.32 -33.37 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.89 -38.98 83.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 15.1 m -72.84 -49.64 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.74 -167.3 18.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.94 135.06 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.34 97.94 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.21 -50.64 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.17 127.72 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 14.8 tp -114.7 109.38 18.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.9 tp -88.99 128.26 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.3 mtp -130.16 95.27 28.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 131.31 21.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.409 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.65 40.77 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 66.67 29.76 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 mmtp -131.54 123.0 19.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.94 9.28 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.79 2.327 . . . . 0.0 112.369 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 20.6 p90 -126.29 151.07 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.3 m -135.49 172.71 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CG ' HG13 ' A' ' 123' ' ' VAL . 38.4 m-85 -132.18 128.36 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.06 151.81 31.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.0 ttp85 -125.75 113.32 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.445 ' OH ' ' CB ' ' A' ' 96' ' ' ALA . 59.0 m-85 -84.59 178.26 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -92.89 -36.43 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -135.74 134.59 39.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.9 m -40.65 -59.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' THR . 37.9 mt-10 -33.37 -51.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.48 -60.59 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -40.77 -51.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 30.3 mtpt -58.91 -47.26 85.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -52.84 -44.09 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.445 ' CB ' ' OH ' ' A' ' 87' ' ' TYR . . . -74.56 -32.74 62.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 30.2 t80 -64.42 -37.43 87.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.71 -24.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.8 m -90.18 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 65' ' ' LEU . 37.5 mt -54.78 -53.84 49.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -45.77 123.34 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.0 -27.95 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 28.5 tttt -59.27 152.69 20.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.3 mt-10 -101.58 130.49 47.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 115' ' ' LEU . 24.3 m -127.19 133.19 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.0 t -71.94 115.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -75.59 178.62 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.11 -45.05 75.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.91 -29.26 69.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.4 16.43 12.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -105.98 139.1 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -79.18 117.84 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.88 144.67 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.438 HG21 ' CE1' ' A' ' 116' ' ' TYR . 15.9 m -92.22 105.51 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.428 ' CD1' HG21 ' A' ' 105' ' ' VAL . 11.4 mt -90.95 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.438 ' CE1' HG21 ' A' ' 114' ' ' THR . 47.7 m-85 -113.96 118.5 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.1 mp -96.02 127.02 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.452 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.1 m120 -119.32 136.65 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 36.5 m-85 -63.1 122.91 17.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.95 142.13 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -106.05 -41.22 5.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -99.99 121.41 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' TRP . 97.9 t -141.26 123.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -60.19 76.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.535 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.1 m95 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.28 118.68 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.9 p -114.25 133.74 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.94 -177.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -101.67 -46.23 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -59.72 162.93 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -63.93 141.36 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.455 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 35.4 p -142.76 126.7 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.7 -34.28 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.8 m -88.96 153.0 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 119' ' ' PHE . 38.9 mt -146.36 153.2 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 15.0 p -117.82 121.48 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.99 118.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.87 158.1 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 53.94 26.64 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.55 -127.78 2.97 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 152.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.4 mt -43.52 -51.35 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.87 -34.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -89.58 35.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.26 24.7 10.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.97 109.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -80.0 161.53 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -65.4 -35.87 82.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 5.5 m120 -73.85 -6.09 45.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.35 -15.93 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 13.7 tp -107.4 -40.23 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.35 -42.75 97.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.5 Cg_exo -47.92 -39.23 32.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.453 ' CG1' HD21 ' A' ' 100' ' ' LEU . 43.1 t -76.95 -24.4 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.93 -20.1 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 60.8 mt-10 -87.15 -41.86 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -58.34 -36.25 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.76 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.22 -167.02 10.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -87.07 122.88 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.0 t -90.83 101.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.3 -46.6 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 125.9 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 tp -113.37 103.67 11.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 20.8 tp -84.92 124.11 31.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 49.9 mtp -125.74 97.96 35.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 0.0 110.87 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.9 135.61 30.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.64 2.227 . . . . 0.0 112.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 141.65 45.28 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 59.37 38.63 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -136.55 123.49 14.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.75 10.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -125.47 155.29 40.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 m -138.7 177.84 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -134.57 128.72 33.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.25 143.47 47.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.527 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 22.6 ttt180 -125.16 110.25 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -78.61 175.84 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -84.33 -31.21 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.8 p -142.49 142.7 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.4 m -46.72 -55.57 7.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 12.9 mt-10 -35.25 -62.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.15 -56.47 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.06 -50.25 6.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 15.5 mtpp -58.65 -47.73 83.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -51.78 -43.72 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 -30.08 58.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 27.3 t80 -67.77 -36.49 80.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.34 -23.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.4 m -90.87 -59.38 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' GLY . 23.5 mt -60.08 -57.32 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -37.7 93.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 108.34 22.32 7.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' LEU . 5.9 ttpp -91.06 152.48 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -102.74 120.44 40.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.68 136.77 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.15 112.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.424 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -76.91 175.78 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -53.26 -28.81 29.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.0 mt -70.33 -26.34 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.31 10.3 42.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.47 136.05 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -70.81 98.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.424 ' CD1' ' CG ' ' A' ' 107' ' ' ASP . 2.8 mt -91.43 152.41 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.9 m -101.73 108.46 19.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 mt -94.89 136.69 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -107.69 169.93 8.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' A' ' 100' ' ' LEU . 7.2 mp -143.39 126.18 16.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 6.0 m120 -119.02 143.25 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CD1' HD22 ' A' ' 45' ' ' LEU . 20.0 m-85 -71.75 113.74 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.455 ' N ' ' HG1' ' A' ' 42' ' ' THR . 19.6 m -115.91 148.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.67 -34.55 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -109.09 120.62 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.93 126.81 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -67.15 75.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 m -81.61 80.15 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -134.41 143.39 47.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.04 133.76 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.0 p -126.76 152.51 46.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m 50.18 46.95 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.85 -178.87 43.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.551 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -175.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -90.22 -41.41 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' NE2' ' ND2' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -107.64 175.43 5.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' LEU . 6.2 p -90.44 -21.63 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' THR . 3.8 mp -33.45 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.7 mm? -73.08 -50.51 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.7 tpt180 -50.14 -48.01 53.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' GLU . 35.0 m170 -55.99 -70.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' HIS . 69.2 mm-40 -36.52 -38.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.03 34.74 5.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.519 HD12 ' CD2' ' A' ' 82' ' ' TYR . 61.5 mt -89.85 117.52 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -94.77 128.54 41.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 p -127.33 138.17 52.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 40' ' ' TYR . 19.3 m -82.82 179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -100.24 -37.93 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 38' ' ' VAL . 17.3 p90 -68.01 -178.18 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -88.59 137.73 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 55.5 p -140.37 125.57 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' THR . 55.4 mt-30 -37.17 -36.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -85.92 150.59 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 119' ' ' PHE . 34.0 mt -142.63 163.2 33.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 8.9 p -125.97 119.35 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.25 114.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.65 155.75 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.524 ' ND2' ' NE2' ' A' ' 27' ' ' HIS . 69.4 m-20 57.14 26.6 12.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.72 -126.5 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 155.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.4 mt -44.16 -50.32 8.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.58 -34.82 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.2 m-20 -88.95 33.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.27 33.34 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.7 t -111.94 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.809 0.338 . . . . 0.0 111.098 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -77.22 164.16 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -64.71 -41.25 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 4.1 m-20 -73.69 -2.95 25.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -108.04 -19.85 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -105.74 -39.07 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 7.2 tp -56.55 -42.77 97.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.1 Cg_exo -48.07 -36.77 29.02 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.656 2.238 . . . . 0.0 112.319 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.415 ' HA ' ' CD ' ' A' ' 67' ' ' LYS . 39.3 t -80.86 -29.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 100' ' ' LEU . 78.2 mt -78.48 -14.55 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -91.94 -45.95 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 64' ' ' VAL . 19.6 ptmt -53.62 -34.84 59.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.26 -59.13 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.56 172.28 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.79 133.83 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.62 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.16 -50.08 37.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.91 127.99 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 tp -114.12 101.6 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 tp -81.86 124.23 29.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.6 mtp -129.66 94.7 31.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.692 . . . . 0.0 110.818 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.85 36.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.08 49.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.78 37.51 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' CE ' ' OH ' ' A' ' 82' ' ' TYR . 35.7 mmtm -134.97 121.3 14.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.69 16.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.41 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD2' HD12 ' A' ' 35' ' ' ILE . 18.6 p90 -122.78 146.73 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 175.53 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CG ' HG11 ' A' ' 123' ' ' VAL . 45.8 m-85 -133.08 135.84 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.66 154.31 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -130.88 110.35 11.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -83.62 172.43 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -83.18 -42.67 17.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -130.27 137.5 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -41.04 -59.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.0 mt-10 -33.72 -51.91 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.64 -58.14 9.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.04 -56.67 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 36.4 mtpt -53.21 -52.03 60.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -47.4 -43.28 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.38 -31.63 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -67.42 -35.42 79.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.86 -18.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -99.99 -62.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 65' ' ' LEU . 28.7 mt -55.52 -48.48 74.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 45.0 t-20 -51.86 123.46 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.65 -23.62 24.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -70.08 146.89 50.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -96.07 160.28 14.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -156.18 134.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.08 126.45 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.42 -178.5 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.99 -41.84 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.7 -27.63 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.14 12.4 27.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.9 133.97 50.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -68.68 124.22 23.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 114' ' ' THR . 35.8 mt -114.25 145.26 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' HG21 ' A' ' 113' ' ' ILE . 2.1 m -95.45 110.37 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 11.0 mt -100.32 147.71 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -123.92 122.15 37.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.4 128.14 43.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 33.6 m-20 -119.07 146.08 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.5 m-85 -74.04 125.91 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.77 125.89 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.85 -43.78 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.493 HG11 ' CG ' ' A' ' 84' ' ' PHE . 95.1 t -151.63 142.62 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.49 75.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -71.73 161.88 30.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 p -93.12 43.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.5 147.13 17.39 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 108.25 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -62.66 104.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 44.7 t -68.03 129.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -91.77 -51.39 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 105.81 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.12 173.64 55.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -147.31 155.35 41.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.855 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.3 m -59.55 -55.84 29.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.89 -130.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' A' ' 30' ' ' LEU . . . -96.01 170.44 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -70.35 -39.83 74.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 27' ' ' HIS . 2.6 p80 -92.95 148.56 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -84.52 30.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.1 -22.27 31.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 25' ' ' ALA . 2.1 mm? -80.49 -38.7 29.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -57.74 -56.73 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -47.71 -56.98 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.39 -53.36 45.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.66 57.65 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.0 mt -109.28 124.67 66.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -107.72 112.16 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.9 p -106.84 144.03 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -83.48 -175.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -104.99 -40.81 5.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.56 ' CE2' HG22 ' A' ' 42' ' ' THR . 23.0 p90 -68.74 168.24 13.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.44 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.56 HG22 ' CE2' ' A' ' 40' ' ' TYR . 45.8 p -133.93 133.8 41.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -49.23 -24.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -99.26 150.79 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 119' ' ' PHE . 79.3 mt -143.62 141.55 30.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 9.8 p -105.12 122.19 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.98 114.44 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.43 153.59 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 39.9 m-20 61.08 25.22 15.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -128.16 -128.92 3.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.77 157.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.413 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.6 mt -45.52 -52.01 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -32.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.35 34.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.07 38.85 32.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.83 117.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 m -88.52 153.55 21.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -58.8 -42.21 88.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t-20 -74.03 -3.0 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 41.5 tp60 -108.16 -18.47 13.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 21.0 tp -107.29 -38.57 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -57.07 -42.61 97.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -48.02 -37.57 30.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.89 -24.53 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 100' ' ' LEU . 14.6 mt -85.92 -14.4 44.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.12 -44.78 10.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -35.87 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -77.18 -55.91 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.29 -178.75 25.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.55 128.99 35.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.22 110.26 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.62 -51.85 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.31 129.98 16.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.34 105.52 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -85.1 122.72 29.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.4 mtp -127.01 96.97 33.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 138.77 38.37 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.84 49.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.08 41.96 31.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -136.96 122.41 13.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -4.76 14.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -123.46 153.05 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -140.17 177.05 8.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -133.67 136.15 44.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.67 144.7 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.9 ttp180 -122.81 107.67 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -80.48 172.97 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -87.79 -29.18 21.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -138.99 141.77 38.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.8 m -50.48 -53.94 26.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 14.3 pt-20 -36.86 -52.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 67.4 mt-10 -57.99 -61.29 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -38.53 -49.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.36 -53.29 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -47.59 -42.82 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' CA ' ' HG ' ' A' ' 100' ' ' LEU . . . -75.24 -33.33 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.582 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.4 t80 -65.36 -36.67 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.66 -20.18 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.7 m -96.48 -63.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 65' ' ' LEU . 21.2 mt -54.49 -51.0 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 50.3 t-20 -50.18 117.69 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.91 -25.81 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.13 157.73 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.33 145.26 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.34 138.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.95 107.35 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 3.1 p30 -65.36 -175.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.474 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 37.1 mt -61.61 -30.0 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.16 19.38 8.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.0 144.02 40.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -79.09 122.77 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -117.79 149.36 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.7 m -100.9 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.9 mt -91.67 146.28 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -119.14 119.94 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.56 127.43 44.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -118.96 146.1 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.7 m-85 -73.51 117.66 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.15 148.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.37 -37.78 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -102.66 132.75 48.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 69.5 t -157.49 136.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.25 68.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.414 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.1 m95 -56.61 -59.99 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 t -175.02 137.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.75 143.81 4.51 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' SER . 53.5 Cg_endo -69.72 -13.52 34.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' PRO . 32.9 m -37.89 99.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -170.5 153.23 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.524 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m -90.21 123.32 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 p -50.39 -53.47 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.61 128.79 9.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -174.44 180.0 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.835 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.457 ' O ' ' ND2' ' A' ' 118' ' ' ASN . 66.0 m -63.68 175.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.17 -161.19 15.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB1' ' CD2' ' A' ' 27' ' ' HIS . . . -76.69 164.7 25.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -108.89 1.31 20.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CD2' ' HB1' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -65.2 140.97 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.7 p -67.34 -16.95 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.42 -27.96 1.91 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' NE2' ' A' ' 27' ' ' HIS . 18.8 mt -73.16 -62.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' HIS . 62.8 ttp85 -42.18 -68.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' ARG . 25.7 m170 -36.04 -54.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.88 -57.49 12.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.5 56.65 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.56 HD13 ' CD2' ' A' ' 82' ' ' TYR . 94.1 mt -106.05 124.36 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -113.66 124.2 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.433 ' CB ' ' HB3' ' A' ' 118' ' ' ASN . 42.1 p -119.12 148.83 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' CE1' ' A' ' 40' ' ' TYR . 24.5 m -86.88 -179.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -100.96 -44.14 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CE1' HG23 ' A' ' 38' ' ' VAL . 20.6 p90 -61.39 158.97 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -65.13 133.82 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -135.97 142.32 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.81 -32.39 65.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.421 ' C ' HG21 ' A' ' 120' ' ' VAL . 62.4 m -88.93 143.89 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 119' ' ' PHE . 47.0 mt -139.55 141.2 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 84' ' ' PHE . 12.0 p -107.36 123.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.15 115.35 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.46 147.35 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.2 m-20 66.13 26.68 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -129.67 -125.58 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.7 155.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.96 -48.79 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.39 -36.94 2.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.9 m-20 -86.26 33.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.8 15.82 3.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.3 t -93.58 107.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.9 p -79.86 162.0 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.47 -40.84 98.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.8 t-20 -73.41 -4.43 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -108.24 -18.97 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.6 tp -105.27 -39.59 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.41 -42.99 99.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.3 Cg_exo -47.95 -40.42 32.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -76.25 -30.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 50.5 mt -80.55 -12.45 59.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.08 -46.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -54.02 -31.78 52.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.6 m -81.11 -61.33 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.44 -167.31 10.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 mt -87.52 124.18 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.96 97.76 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.36 -45.64 62.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.8 131.48 13.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 tp -120.46 103.74 9.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 29.4 tp -82.6 125.26 30.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.8 mtp -128.16 96.08 32.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 136.25 32.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.755 2.303 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 141.17 44.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 58.12 41.99 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 30.9 mmtp -139.79 121.34 9.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.878 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.69 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 35' ' ' ILE . 24.7 p90 -127.56 144.4 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.7 m -129.79 177.88 6.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 46' ' ' VAL . 53.7 m-85 -135.68 129.1 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.1 153.87 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.449 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 13.2 ttp85 -130.92 103.74 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 44.8 m-85 -75.43 178.22 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.0 p -139.2 138.14 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.4 m -39.48 -59.04 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' THR . 51.3 mt-10 -33.95 -64.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -47.13 -57.38 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 2.7 t -43.27 -58.05 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 16.8 mtpp -51.84 -50.36 61.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -48.01 -44.13 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.44 ' CB ' ' OH ' ' A' ' 87' ' ' TYR . . . -74.39 -34.22 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 17.9 t80 -64.51 -36.89 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.8 t -89.86 -23.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.5 m -91.86 -60.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 65' ' ' LEU . 25.6 mt -57.84 -55.03 40.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -44.64 107.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.06 16.55 35.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -96.99 153.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.29 132.88 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.98 134.56 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.8 t -76.61 107.97 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.43 175.54 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.33 -41.02 50.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -61.11 -29.37 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.63 9.61 30.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -100.37 144.31 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -84.45 98.81 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.1 mt -92.06 159.87 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.4 m -109.92 97.9 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 16.2 mt -85.56 139.66 31.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -107.66 170.54 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.445 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.0 mp -142.92 126.61 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 42.2 m-20 -118.99 137.36 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 39.1 m-85 -67.19 117.0 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.421 HG21 ' C ' ' A' ' 44' ' ' SER . 2.7 m -118.63 153.54 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.22 -34.94 3.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -113.59 116.26 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.74 132.57 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.63 73.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.2 m95 -66.86 158.85 29.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.5 p -83.78 -45.74 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.75 173.95 52.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 118.44 5.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.0 m -126.83 132.9 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.0 p -159.8 132.03 6.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 m -155.29 127.0 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -99.05 169.57 9.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.42 -125.45 0.8 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -92.93 107.49 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -48.87 -60.09 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.83 -157.69 8.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.0 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -104.5 -24.99 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.556 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -118.65 174.52 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.553 HG23 ' CE1' ' A' ' 32' ' ' HIS . 7.6 m -95.9 -32.2 12.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' THR . 5.5 mp -35.39 -37.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.82 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -43.92 -53.73 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' CE1' HG23 ' A' ' 28' ' ' THR . 19.4 m170 -43.73 -62.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -46.25 -42.29 14.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.71 50.65 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.0 mt -104.72 132.21 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -108.2 110.26 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.8 p -114.82 138.57 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG21 ' CE1' ' A' ' 40' ' ' TYR . 34.7 m -83.5 175.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -91.79 -45.56 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.431 ' CE1' HG21 ' A' ' 38' ' ' VAL . 13.0 p90 -66.1 172.15 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.51 148.51 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 p -146.05 127.13 14.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -39.8 -32.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -93.82 158.69 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' A' ' 119' ' ' PHE . 33.6 mt -149.19 158.88 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 10.7 p -124.0 121.33 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.07 117.3 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.93 163.05 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 28.4 m-20 50.16 26.12 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.79 -127.76 3.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 155.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.561 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.5 mt -43.98 -52.71 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.54 -30.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.6 m-20 -91.71 32.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.63 29.18 31.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -106.03 110.67 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -79.94 162.97 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -68.85 -38.73 79.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.3 t-20 -73.1 -6.98 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -108.31 -19.21 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 20.1 tp -102.09 -40.59 6.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.0 tp -56.65 -42.65 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.954 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -48.01 -47.76 18.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.77 -27.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 100' ' ' LEU . 15.7 mt -83.58 -15.45 49.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.64 -47.01 9.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -37.59 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.8 m -73.93 -57.71 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.01 -169.09 14.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 122.46 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -90.7 104.11 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.47 -34.68 54.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.31 129.09 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 tp -121.2 105.11 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.1 tp -89.38 126.32 35.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.4 mtp -127.39 98.14 29.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.04 29.5 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 143.17 49.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 60.73 32.19 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 20.7 mmtm -131.98 122.14 18.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 22.9 p90 -127.05 148.45 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.2 m -130.58 -179.98 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 123' ' ' VAL . 77.6 m-85 -133.74 129.76 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.14 145.83 41.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -126.24 114.7 18.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' CE1' HD11 ' A' ' 45' ' ' LEU . 71.7 m-85 -91.63 168.31 11.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -79.49 -35.37 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p -137.29 148.07 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' GLU . 6.1 m -52.89 -57.63 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.9 mt-10 -34.12 -53.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.75 -56.01 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -43.85 -52.63 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -56.07 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -50.61 -42.69 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.01 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 17.3 t80 -68.61 -37.67 79.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.3 t -89.87 -21.55 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.3 m -92.15 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD1' HD22 ' A' ' 65' ' ' LEU . 27.0 mt -55.8 -54.12 48.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 37.8 t-20 -41.63 110.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.42 35.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.7 0.286 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -98.8 120.41 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.98 130.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 t -69.06 114.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.64 -175.19 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.06 -42.33 85.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.47 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.67 13.63 18.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.53 144.45 32.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -81.33 102.85 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.12 152.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.7 m -103.48 93.18 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 14.4 mt -81.21 141.79 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.48 170.91 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.418 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 6.8 mp -143.44 126.27 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 17.0 m-80 -119.32 144.23 46.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.564 ' CD1' HD21 ' A' ' 45' ' ' LEU . 34.4 m-85 -75.33 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.91 125.46 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.45 -40.43 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 4.8 ptmm? -139.09 168.01 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 84' ' ' PHE . 78.2 t -160.53 143.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.09 70.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 123' ' ' VAL . 83.7 m95 -67.96 161.42 26.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.53 115.12 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.64 145.92 14.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -21.68 33.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.3 p 42.19 42.86 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -92.8 -46.89 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -105.69 108.45 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.5 p -117.71 173.75 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 45.86 85.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.8 p -133.04 145.91 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -143.7 148.28 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.26 -160.64 9.74 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.03 171.62 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -64.8 -16.62 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CE1' HD23 ' A' ' 30' ' ' LEU . 1.3 p80 -125.08 160.71 28.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 m -98.4 31.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -89.31 -28.25 19.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD23 ' CE1' ' A' ' 27' ' ' HIS . 3.4 mm? -70.7 -43.69 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -58.36 -51.4 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.19 -48.68 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -63.52 -55.72 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.52 62.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt -114.29 127.05 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.18 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -98.26 121.37 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -124.42 133.94 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.28 -176.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -99.74 -48.88 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -60.0 169.31 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.52 138.89 43.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.7 p -138.33 130.01 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -42.73 -32.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -88.86 153.53 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 119' ' ' PHE . 51.1 mt -146.65 144.39 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 84' ' ' PHE . 13.7 p -109.6 122.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.72 112.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.46 159.41 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 54.27 25.51 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.81 -126.86 2.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 157.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . 24.1 mt -45.42 -53.11 9.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.46 -32.85 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -90.7 34.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.91 21.44 3.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 18.4 t -96.49 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 111.094 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -79.59 154.67 28.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -58.05 -42.98 86.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 9.9 t-20 -73.05 -3.2 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.09 -22.07 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.6 tp -102.5 -39.56 7.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.35 -42.93 98.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.97 -36.78 28.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 t -81.2 -27.99 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -81.59 -20.66 39.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.36 -45.64 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -52.02 -38.69 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.17 -56.15 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.02 -168.07 13.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.51 134.99 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.38 109.92 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.36 -52.17 10.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.04 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.66 99.33 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 21.1 tp -79.88 124.12 28.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.9 mtp -129.13 96.83 27.59 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.546 0.689 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 140.38 42.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.38 62.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 t30 51.94 37.76 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -133.92 121.25 15.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -123.07 154.44 38.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.7 m -137.71 -179.45 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CE1' HG21 ' A' ' 46' ' ' VAL . 64.9 m-85 -141.54 118.63 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.26 151.17 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.2 ttt180 -127.6 114.69 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -87.93 177.81 6.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -89.01 -46.62 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 60.1 p -125.58 126.61 45.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.473 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -33.67 -52.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.0 mt-10 -37.58 -54.17 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.92 -55.18 35.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 t -47.24 -52.63 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HE2' ' CG2' ' A' ' 90' ' ' THR . 21.2 mtmt -56.4 -50.53 71.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -48.37 -41.62 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -78.89 -34.5 44.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.701 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.3 t80 -64.19 -36.52 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t -89.5 -19.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -99.11 -64.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ALA . 26.7 mt -54.07 -48.21 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.5 t-20 -51.69 122.21 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.92 -17.69 55.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -74.26 154.56 38.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -104.94 151.52 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.01 145.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.64 112.15 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -75.89 -177.29 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.13 -39.06 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.02 -28.69 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.52 16.49 20.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -110.25 149.47 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -81.5 115.07 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.84 143.7 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.3 m -94.45 113.35 25.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.6 142.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -118.75 120.59 37.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.48 128.27 43.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.467 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 15.6 m-80 -119.73 145.59 46.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 27.8 m-85 -74.72 119.64 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.48 130.92 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.85 -41.05 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -134.22 157.68 45.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.506 HG11 ' CG ' ' A' ' 84' ' ' PHE . 97.8 t -156.8 130.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.08 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.538 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 95.4 m95 -69.71 179.7 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -117.22 111.6 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.71 143.58 18.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 127.43 14.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -104.44 166.04 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.5 t -138.52 155.65 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -45.0 -44.79 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 t -130.31 -45.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.91 102.6 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.9 m -89.61 100.0 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m 43.88 41.82 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.01 -119.93 2.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.01 -176.33 4.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 116' ' ' TYR . 0.2 OUTLIER -67.33 -37.96 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' CD2' ' A' ' 30' ' ' LEU . 2.0 p80 -123.34 172.72 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' LEU . 16.5 p -77.0 -28.19 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' THR . 2.5 mt -33.92 -38.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 3.8 mm? -66.74 -64.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -41.86 -57.72 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' GLU . 33.3 m170 -46.17 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' HIS . 69.6 mm-40 -34.54 -43.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.44 42.76 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt -92.83 114.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.43 120.24 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -121.67 134.31 54.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.432 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 26.7 m -78.53 -175.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t -104.27 -42.75 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -63.73 174.39 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 133.52 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.5 p -131.83 146.73 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -62.06 -18.2 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -105.26 152.03 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.522 HD21 ' CD1' ' A' ' 119' ' ' PHE . 42.5 mt -142.01 162.9 34.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 14.2 p -126.08 120.34 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.31 116.93 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.7 160.7 15.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.88 24.97 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . -125.9 -126.38 2.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 153.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -42.83 -49.66 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.87 -35.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 3.8 m120 -85.99 27.83 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 58.32 17.28 31.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.0 t -96.81 103.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -74.86 165.18 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -68.7 -39.49 80.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.93 -4.59 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -108.23 -16.94 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.8 tp -107.74 -39.55 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.8 tp -56.43 -42.84 98.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.0 Cg_exo -48.07 -38.13 31.56 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 t -79.82 -27.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 100' ' ' LEU . 37.1 mt -79.34 -16.74 55.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -89.84 -46.54 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.65 -32.62 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 m -83.64 -53.85 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.82 166.58 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.97 130.51 43.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.3 t -99.01 105.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.22 -51.63 29.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.98 127.35 9.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 tp -115.19 109.31 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 18.2 tp -89.29 126.38 35.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.4 mtp -129.02 96.96 27.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.542 0.686 . . . . 0.0 110.927 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.48 28.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 141.67 45.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.26 35.11 18.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 37.5 mmtt -134.96 123.77 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.9 Cg_endo -69.67 -6.75 19.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 28.9 p90 -120.29 152.74 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -139.32 177.19 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -133.5 138.06 45.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.78 145.07 49.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.9 ttt85 -123.47 108.63 12.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -80.25 164.53 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.34 -28.22 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -136.74 134.78 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 m -47.64 -50.13 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 15.4 pt-20 -42.93 -44.18 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 86.2 mt-10 -64.42 -56.01 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 t -43.89 -51.77 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -58.75 -50.98 71.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -49.8 -46.3 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -71.6 -34.14 69.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 28.5 t80 -63.32 -37.6 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.04 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.8 m -93.75 -62.07 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' CD1' HD21 ' A' ' 65' ' ' LEU . 28.6 mt -57.16 -49.81 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 49.9 t-20 -51.43 125.98 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.65 -12.74 58.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -72.94 157.43 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.06 136.69 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.75 146.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.415 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 30.9 t -88.22 109.0 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.06 -179.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.36 -36.89 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.85 -30.68 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.415 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.5 15.99 19.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -106.11 150.84 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -83.56 116.86 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.11 140.05 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.5 m -94.24 109.75 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.72 140.38 29.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 48.3 m-85 -113.94 117.39 31.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 100' ' ' LEU . 6.9 mp -96.06 127.1 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.435 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m120 -118.97 153.56 34.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 40.2 m-85 -80.45 121.94 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 m -121.62 156.58 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 9.9 pt-20 -120.61 -32.39 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.53 121.17 43.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -144.54 125.1 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.22 72.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.5 m95 -64.59 135.21 55.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -104.1 111.56 24.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 144.13 166.54 11.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 93.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.2 m -106.63 107.52 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 m 52.01 42.39 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m 45.19 42.32 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -99.74 110.79 23.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' SER . . . 156.52 -126.99 1.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' GLY . 79.3 p 34.61 42.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.826 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -99.33 41.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -95.43 146.37 18.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -36.2 138.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -90.44 8.92 31.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -132.75 170.35 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -110.18 29.28 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -85.06 -26.2 27.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.9 -48.58 65.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.1 tpt180 -53.53 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 31' ' ' ARG . 20.0 m170 -35.2 -44.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.57 -45.04 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . 93.14 61.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.3 mt -106.34 130.21 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -102.06 122.83 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.9 p -122.12 144.08 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -90.53 -179.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.5 t -103.09 -41.98 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CE2' HG22 ' A' ' 42' ' ' THR . 22.8 p90 -68.68 166.52 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -66.8 139.74 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.405 HG22 ' CE2' ' A' ' 40' ' ' TYR . 72.2 p -141.16 129.61 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -46.85 -28.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -96.15 147.77 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 HD23 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -139.17 156.55 47.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.4 p -120.85 118.28 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.16 118.07 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.49 165.13 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.515 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 93.5 m-20 48.25 26.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.07 -126.8 2.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.573 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.78 156.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.8 mt -44.0 -51.14 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.05 -34.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.515 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.0 m-20 -88.42 32.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.77 23.33 14.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.1 103.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -74.25 167.68 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 74' ' ' LEU . 35.3 ttm180 -69.13 -41.42 77.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t30 -74.13 -2.96 26.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -108.17 -17.87 13.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 27.0 tp -108.21 -38.67 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.9 tp -56.8 -42.68 97.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.975 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.92 -37.34 29.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.62 -29.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.0 mt -80.41 -24.68 39.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -79.39 -47.14 16.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 68' ' ' CYS . 17.1 pttt -53.37 -39.47 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 m -77.26 -56.74 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.8 172.84 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.9 116.39 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.4 t -84.6 104.74 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.54 -34.38 47.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.64 122.89 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 18.3 tp -116.4 101.61 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 24.8 tp -84.74 124.99 32.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 69.3 mtp -126.92 98.52 30.56 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 134.99 29.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 141.65 45.61 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.66 40.6 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 31.1 mmtp -138.55 123.97 12.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.84 -1.93 9.38 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.5 p90 -127.05 152.84 46.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -138.56 176.8 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -132.38 133.4 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.02 156.26 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 8.7 ttp180 -134.95 118.32 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -91.34 171.6 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -84.49 -26.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -140.64 146.68 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -57.18 -54.86 41.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 17.2 pt-20 -38.42 -48.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 7.0 mm-40 -61.89 -56.56 18.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -43.3 -50.15 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -58.65 -48.18 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -49.59 -40.38 38.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -77.86 -33.58 52.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.7 t80 -64.88 -37.42 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 t -88.0 -19.8 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.163 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.2 m -98.6 -62.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 96' ' ' ALA . 31.9 mt -54.41 -48.49 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.0 t-20 -54.61 119.44 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.2 -8.44 77.6 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -79.88 149.54 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.21 146.3 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.32 138.05 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.34 111.3 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 5.5 p30 -67.42 -176.46 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -38.17 83.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.442 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 27.3 mt -65.57 -30.84 71.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.65 15.25 10.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -105.3 146.95 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -84.77 125.44 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -118.21 147.4 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.6 m -98.82 102.35 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -88.47 150.51 23.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -125.6 117.84 24.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 100' ' ' LEU . 7.2 mp -96.05 125.56 40.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.97 141.78 48.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.53 ' CD1' HD23 ' A' ' 45' ' ' LEU . 25.9 m-85 -67.7 125.88 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 144.3 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -107.3 -32.71 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -110.56 129.2 55.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' TRP . 58.2 t -151.96 121.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -60.65 77.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.7 m95 -68.03 156.58 37.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.5 m -94.58 175.9 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.93 12.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -1.96 9.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.745 2.297 . . . . 0.0 112.347 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -46.61 153.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.4 p -45.91 129.98 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.1 t -35.24 131.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 t -171.79 144.12 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' SER . . . -179.34 -71.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLY . 19.0 m 37.49 51.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -86.43 -60.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.72 -176.01 14.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 26' ' ' LYS . . . -71.53 -73.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ALA . 8.5 tptm 36.17 52.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.54 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 2.2 p80 -83.73 160.96 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' LEU . 65.2 m -37.83 -48.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' THR . 6.8 tt -34.26 -57.14 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.75 -66.02 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' HIS . 75.1 ttt180 -50.26 -67.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' ARG . 1.9 t-80 -35.69 -66.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -42.91 -57.2 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.41 53.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -106.38 131.67 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -112.12 121.47 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 27.0 p -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.93 -179.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -98.01 -46.78 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE2' HG23 ' A' ' 42' ' ' THR . 25.5 p90 -64.46 171.64 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 124.63 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.439 HG23 ' CE2' ' A' ' 40' ' ' TYR . 20.6 p -114.02 154.07 28.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.58 -16.39 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -111.34 154.65 24.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 119' ' ' PHE . 83.6 mt -138.44 160.36 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 11.3 p -123.5 117.49 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.06 121.31 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.44 161.73 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 90.0 m-20 49.82 25.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -124.4 -127.21 3.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.15 153.17 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.41 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.3 mt -43.45 -49.98 7.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.05 -36.32 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.5 m-20 -84.47 28.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 56.71 22.1 38.77 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.27 106.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.2 m -79.19 155.76 28.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 7.9 ttp-105 -59.43 -42.18 91.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t30 -71.16 -2.97 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -108.09 -26.46 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.0 tp -97.39 -39.82 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.2 tp -56.24 -43.02 99.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.91 -35.21 24.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.7 t -81.03 -28.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.08 -19.85 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.21 -47.1 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -38.03 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.7 m -71.65 -61.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.86 -176.71 23.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.51 125.91 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.0 t -94.99 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.46 -54.71 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.66 126.32 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 tp -111.12 100.49 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 25.8 tp -80.97 120.87 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.8 mtp -124.01 96.72 41.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 134.41 28.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.412 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.52 45.47 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 62.06 34.04 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 29.1 mmtt -132.47 124.1 18.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -4.3 13.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 19.5 p90 -125.13 159.32 31.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -140.81 177.72 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -135.21 122.88 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.12 141.79 42.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 21.5 ttp180 -118.27 114.48 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.9 m-85 -88.95 154.97 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.66 -36.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.4 p -136.64 132.2 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.8 m -38.69 -53.13 1.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 90' ' ' THR . 4.6 mt-10 -34.38 -55.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.7 -56.59 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.449 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 40.6 t -43.31 -52.71 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -57.18 -50.6 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -51.94 -41.48 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.57 -32.75 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 22.8 t80 -66.29 -37.9 86.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.1 t -90.03 -18.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.0 m -97.25 -63.35 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' CD1' HD21 ' A' ' 117' ' ' LEU . 26.7 mt -56.13 -49.32 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.8 t-20 -52.37 122.53 8.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.43 1.27 89.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -83.63 150.41 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -93.87 130.14 40.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.33 134.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 82.3 t -77.34 123.69 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.49 -174.92 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -53.56 -43.8 68.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.93 -28.94 69.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.59 6.8 40.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -93.06 151.33 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.67 108.59 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 mt -103.81 148.6 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.4 m -102.74 99.44 9.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.95 141.48 31.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -113.94 119.58 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 100' ' ' LEU . 8.3 mp -96.14 129.18 43.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.448 ' HB3' ' CG2' ' A' ' 37' ' ' THR . 34.4 m-20 -121.32 149.03 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 45' ' ' LEU . 36.0 m-85 -75.77 114.6 14.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.0 m -117.08 138.39 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 6.8 pt-20 -103.72 -36.27 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 121' ' ' GLU . 28.6 mmtp -107.69 117.79 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.409 ' HB ' ' NE1' ' A' ' 125' ' ' TRP . 89.3 t -139.7 133.77 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 70.71 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.7 m95 -65.84 169.71 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.4 t -151.6 146.38 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.42 146.18 6.65 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -41.73 3.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.7 m -74.36 163.44 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.5 t -133.58 -60.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.7 m 50.4 41.85 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 p -132.28 125.45 31.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.757 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.73 179.94 16.73 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -65.65 130.37 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.91 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -89.57 80.22 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.7 -136.3 4.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.85 169.63 11.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -118.95 18.01 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.514 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -119.6 135.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 30' ' ' LEU . 58.6 p -48.96 -24.11 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.7 tp -34.53 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.7 mm? -79.5 -67.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -55.18 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -48.56 -61.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -49.75 -49.88 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.52 42.16 1.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -93.44 124.79 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.46 121.01 41.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.0 p -117.55 131.88 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.7 m -79.35 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -88.62 -42.01 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 51.7 p90 -65.69 157.32 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.47 141.17 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.431 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 57.6 p -142.65 137.08 29.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -51.15 -39.54 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -83.42 154.21 24.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 119' ' ' PHE . 60.5 mt -145.95 155.76 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' CE1' ' A' ' 84' ' ' PHE . 11.3 p -117.47 121.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.87 112.74 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.89 160.73 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.514 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 76.8 m-20 50.83 30.15 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -130.18 -127.27 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.51 155.53 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.401 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -43.19 -51.15 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.386 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.17 -35.15 1.03 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.9 m-20 -88.08 34.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.58 28.66 10.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 38.3 t -105.11 105.0 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -77.71 156.89 30.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.54 -41.17 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t-20 -74.12 -4.04 33.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -108.19 -16.34 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 30.6 tp -108.98 -39.42 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.38 -42.83 98.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.06 -40.52 33.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 t -76.91 -27.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 100' ' ' LEU . 12.0 mt -82.18 -15.89 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.74 -40.62 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -58.1 -34.64 70.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.9 m -75.08 -50.45 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.49 -155.17 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.6 129.92 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.57 109.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.52 -46.02 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.56 130.05 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.1 tp -116.09 107.18 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 21.0 tp -87.58 123.24 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.8 mtp -126.25 95.28 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.677 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.5 33.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.62 48.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 58.78 37.01 25.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -135.11 120.97 14.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.529 0.681 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.429 ' CG ' HD22 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.7 -0.25 6.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.49 151.53 49.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -136.13 173.77 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 46' ' ' VAL . 45.2 m-85 -132.54 121.66 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.44 148.95 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.42 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.5 ttt180 -123.85 117.01 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -89.79 159.66 16.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.464 ' CD ' HG23 ' A' ' 89' ' ' THR . 3.9 tmt_? -73.34 -38.95 65.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.464 HG23 ' CD ' ' A' ' 88' ' ' ARG . 11.0 p -131.21 139.45 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -46.01 -54.46 8.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.91 -57.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.1 -56.75 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -45.91 -58.37 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.09 -50.25 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -48.33 -46.83 36.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.95 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.672 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 19.8 t80 -65.92 -39.57 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -90.16 -16.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m -97.18 -60.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 65' ' ' LEU . 35.5 mt -60.02 -53.4 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.1 t-20 -44.56 125.31 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.0 -31.1 6.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -62.83 155.78 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -102.83 137.84 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 m -127.88 130.49 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.32 105.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.84 -178.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.1 -38.96 84.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.2 -20.99 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.84 20.22 22.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -108.5 145.87 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -80.77 110.89 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.8 mt -106.32 147.15 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 m -99.81 106.76 18.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.7 mt -96.43 137.14 35.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -113.39 122.97 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.437 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.4 mp -97.19 129.15 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.6 m120 -120.82 143.46 48.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 34.5 m-85 -72.23 126.59 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.431 ' N ' ' HG1' ' A' ' 42' ' ' THR . 27.8 m -131.34 164.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.08 -37.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -107.7 119.36 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.2 t -146.01 129.26 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.63 76.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.484 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.2 m95 -68.75 179.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 t -87.51 91.07 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -158.2 34.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.47 16.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.6 t -153.68 126.89 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.1 m -106.39 163.45 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.7 t -59.02 139.08 57.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 m -122.63 99.36 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.41 153.14 5.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -153.91 127.32 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -63.42 157.45 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.68 -163.37 35.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.67 175.74 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -67.93 -34.82 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CE1' ' CD2' ' A' ' 30' ' ' LEU . 2.1 p80 -108.73 -179.81 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -106.45 32.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -93.87 -28.46 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 2.9 mm? -70.96 -48.08 55.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -56.12 -43.28 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -54.15 -29.97 47.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -84.92 -52.44 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.58 39.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.1 mt -91.42 123.58 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.9 106.25 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.6 p -100.47 144.06 29.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.09 172.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -90.65 -49.56 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -59.84 162.47 5.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -77.58 126.76 31.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -120.16 164.04 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -72.02 -23.7 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.78 147.13 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 119' ' ' PHE . 38.4 mt -135.75 161.69 34.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 9.9 p -126.42 121.47 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.35 115.44 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.6 151.9 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 60.96 25.96 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.61 -126.1 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.4 156.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -43.77 -51.39 7.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.87 -32.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.4 m-20 -91.65 34.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.37 29.14 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.31 106.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -79.85 161.37 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -64.45 -40.07 95.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 48.8 m-20 -73.94 -3.82 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -108.18 -18.03 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 19.5 tp -107.13 -39.05 5.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.83 -42.59 97.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.4 Cg_exo -47.97 -38.39 31.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.75 2.3 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.73 -32.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 100' ' ' LEU . 34.8 mt -77.21 -13.06 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.23 -42.38 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -59.14 -38.66 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 m -71.31 -45.55 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.8 -160.05 10.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.21 125.94 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.54 106.46 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.72 -48.46 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.64 125.7 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.1 tp -115.83 103.79 11.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.85 127.61 34.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.8 mtp -130.13 96.54 25.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 137.17 34.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 146.01 59.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.63 33.47 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -132.29 120.43 17.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 0.42 5.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -126.05 149.19 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -131.49 178.82 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 46' ' ' VAL . 66.0 m-85 -138.14 126.31 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.93 149.52 33.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -126.72 102.03 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 53.9 m-85 -76.21 157.41 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' CD ' HG23 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.3 -37.39 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.427 HG23 ' CD ' ' A' ' 88' ' ' ARG . 6.3 p -133.8 143.35 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -49.02 -53.23 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -38.68 -64.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.89 -56.41 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 t -42.46 -56.69 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 38.4 mtpt -53.35 -50.27 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -47.09 -40.73 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.02 -35.63 42.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.4 t80 -62.7 -35.29 79.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -90.01 -20.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -97.63 -63.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 65' ' ' LEU . 20.2 mt -54.09 -44.64 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 42.9 t-20 -56.33 113.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.08 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -78.55 157.75 28.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -106.01 134.04 49.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 m -132.02 125.52 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.49 109.18 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -178.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -42.43 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -25.32 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.96 14.66 24.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -106.56 142.29 36.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -82.18 125.83 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.3 mt -122.14 143.27 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.3 m -91.88 111.14 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.32 135.66 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -110.38 125.59 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.6 mp -99.28 129.1 45.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 9.1 m120 -121.18 140.68 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.4 m-85 -69.5 122.95 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.0 m -126.7 146.46 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.44 -38.34 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.409 ' C ' HG23 ' A' ' 123' ' ' VAL . 40.2 mttt -107.91 125.66 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 122' ' ' LYS . 96.4 t -141.68 144.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.31 66.21 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.47 139.54 57.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.2 t -118.05 -63.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.88 -157.72 21.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -47.28 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.283 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -174.48 117.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.1 m -75.08 90.68 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.544 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -63.0 -55.86 22.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -40.65 145.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.93 168.01 38.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 m -87.49 111.53 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.4 p -104.12 177.7 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.764 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.42 177.53 19.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -179.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -96.85 -7.59 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.585 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -133.38 132.23 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -50.41 -28.01 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.88 -38.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 27' ' ' HIS . 3.7 mm? -74.35 -45.45 47.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -46.01 -55.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' GLU . 35.2 m80 -52.01 -64.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' HIS . 11.1 mm-40 -36.46 -37.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.11 45.71 4.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD12 ' CG ' ' A' ' 82' ' ' TYR . 76.3 mt -101.82 120.6 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -100.28 127.37 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.6 p -123.46 144.24 49.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.9 179.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -98.95 -46.92 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -62.25 159.31 15.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 136.93 56.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.9 p -132.78 136.3 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -51.55 -28.66 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 86' ' ' ARG . 7.2 m -97.43 161.36 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 119' ' ' PHE . 60.5 mt -147.31 166.11 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 11.9 p -129.86 115.66 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.71 122.71 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.54 163.68 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 47.74 27.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.01 -129.85 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.37 156.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 55' ' ' GLY . 18.3 mt -44.95 -52.54 8.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.899 0.38 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.0 0.33 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.66 36.54 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 47.64 32.85 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -107.65 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -78.61 158.11 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -63.5 -39.54 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.6 m-20 -74.46 -5.2 41.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -108.15 -15.0 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.0 tp -109.43 -40.02 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.0 tp -55.92 -43.09 99.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.6 Cg_exo -47.94 -43.0 30.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.9 t -71.61 -28.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 100' ' ' LEU . 14.4 mt -81.51 -19.28 42.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.2 -47.39 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -34.72 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.3 m -78.64 -50.01 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.89 -175.92 28.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 47.7 mt -76.97 134.08 38.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -105.88 109.45 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.35 -51.91 10.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 127.52 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.0 tp -111.55 108.4 17.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 24.9 tp -85.21 127.23 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 mtp -130.04 94.8 30.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.6 30.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.758 2.305 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.83 46.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 59.63 37.43 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 24.1 mmtp -135.69 121.07 13.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.0 Cg_endo -69.83 0.73 5.27 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.429 ' CG ' HD12 ' A' ' 35' ' ' ILE . 11.4 p90 -130.77 147.98 52.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.0 m -131.08 176.09 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -134.08 125.21 27.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.73 150.08 28.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.539 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt85 -125.94 102.95 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -76.29 156.13 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -74.16 -30.13 62.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -137.21 144.13 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 m -52.74 -59.36 4.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 39.9 mt-10 -34.44 -60.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' OE1' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -50.31 -54.53 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -46.07 -59.64 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -50.69 -51.63 47.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -47.27 -42.17 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -76.08 -33.17 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.8 t80 -65.29 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.57 -17.88 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.0 m -100.85 -62.81 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 96' ' ' ALA . 29.1 mt -53.88 -49.01 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 116' ' ' TYR . 54.2 t-20 -54.25 109.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.07 -19.76 42.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.97 148.19 47.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -91.36 142.55 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.8 m -139.46 138.32 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.74 116.34 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -74.16 177.27 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.63 -31.35 64.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.0 -30.26 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.81 20.98 8.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.11 150.95 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -81.55 125.53 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.55 141.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -93.23 106.24 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.64 135.28 39.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.496 ' CD2' ' OD1' ' A' ' 101' ' ' ASN . 34.6 m-85 -112.07 127.49 55.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.96 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.419 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.9 m-80 -119.38 143.76 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.8 m-85 -70.37 127.1 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -128.31 150.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.48 -34.1 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -116.25 122.55 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.28 130.95 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -66.01 76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 -72.5 157.81 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 p -68.0 -43.54 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.11 156.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.11 27.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.33 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 m -122.09 -44.77 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 87.5 p -128.15 129.02 45.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' SER . 23.2 t -154.73 133.61 12.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' SER . 91.1 p -36.19 120.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.71 -67.2 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -45.09 120.83 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 9.5 t -55.44 -59.19 5.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.83 -151.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.536 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -175.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 18.12 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -133.3 127.66 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.0 t -55.34 -20.3 11.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -39.09 -45.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 27' ' ' HIS . 1.5 mm? -60.62 -40.81 93.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' THR . 28.7 ttp85 -48.93 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -42.48 -49.86 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.76 -35.0 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.13 56.59 3.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 82' ' ' TYR . 94.8 mt -108.07 122.22 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -115.5 125.4 53.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 33.1 p -115.95 151.29 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 16.9 m -84.81 -179.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -94.07 -47.56 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -64.7 161.06 18.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.5 147.02 53.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' SER . 29.6 p -142.39 126.53 17.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -38.15 -31.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.4 p -95.1 157.67 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 119' ' ' PHE . 50.1 mt -147.01 151.95 37.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 14.9 p -115.99 120.98 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.2 122.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.75 159.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.0 m-20 53.71 26.23 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.81 -127.4 3.08 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 156.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.515 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -43.66 -50.85 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.25 -34.79 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.493 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -87.54 32.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 53.26 19.63 8.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.445 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 64.8 t -97.41 106.99 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m -80.69 159.59 25.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -60.8 -42.07 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.2 t-20 -74.56 -3.46 31.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.13 -16.11 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 26.0 tp -110.04 -38.56 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.94 -42.75 97.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.5 Cg_exo -47.95 -36.94 28.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.4 t -79.7 -30.41 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.7 mt -79.3 -14.96 58.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.96 -46.03 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.95 45.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -82.05 -69.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.57 -178.94 15.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -77.16 131.55 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.0 103.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.29 -53.9 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.46 123.58 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -109.89 101.75 10.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 27.0 tp -82.62 125.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtp -127.53 95.73 34.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.63 30.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 142.92 49.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.632 2.221 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.83 36.95 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 43.8 mmtt -136.11 122.67 14.1 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.685 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.8 12.79 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 36.3 p90 -122.18 155.97 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.9 m -142.22 170.51 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 123' ' ' VAL . 53.1 m-85 -127.86 136.97 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.08 153.07 40.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.498 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 5.0 ttt180 -130.19 106.19 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -78.86 158.56 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -74.48 -26.41 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -139.81 149.08 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -59.85 -49.7 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 10.1 pt-20 -44.16 -48.11 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 37.2 mm-40 -59.4 -57.58 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -41.47 -54.22 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -56.19 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -50.02 -39.62 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -79.61 -34.5 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 23.0 t80 -63.98 -35.5 80.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.4 t -89.9 -19.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -98.62 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 65' ' ' LEU . 19.7 mt -54.42 -48.14 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.4 t-20 -54.35 120.58 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.23 -9.86 76.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -76.8 146.34 37.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -94.25 134.72 36.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 115' ' ' LEU . 23.5 m -134.32 131.07 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.94 108.97 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.63 175.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.13 -32.59 55.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.95 -34.25 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.52 10.0 15.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -102.77 141.07 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.967 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -78.39 121.06 24.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.0 mt -117.65 140.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 m -91.07 104.64 17.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 105' ' ' VAL . 11.2 mt -88.8 139.16 30.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -116.54 121.81 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' CB ' ' A' ' 100' ' ' LEU . 6.8 mp -101.6 128.96 47.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.442 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.9 m120 -119.01 151.98 37.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' A' ' 45' ' ' LEU . 17.0 m-85 -78.46 108.18 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.4 m -104.26 134.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.475 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 4.3 pt-20 -87.67 -43.26 12.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -123.77 139.8 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.514 HG13 ' CG ' ' A' ' 84' ' ' PHE . 87.0 t -140.99 141.98 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.429 ' N ' HG12 ' A' ' 123' ' ' VAL . 60.1 mt-30 -74.76 74.97 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 98.9 m95 -68.05 144.16 55.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 m -130.75 177.08 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.54 151.1 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.76 12.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -74.9 154.02 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 90.9 p -148.01 135.9 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.51 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -151.7 137.04 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -77.3 91.55 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 119.75 1.13 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.5 p -88.62 157.56 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.943 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' GLY . 23.0 t -95.73 52.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 38.22 88.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -162.85 -178.55 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -88.1 -60.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -98.62 173.05 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 m -87.5 20.97 2.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 6.0 mp -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.47 -38.48 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' HIS . 2.4 tmm_? -76.77 -70.44 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' GLU . 1.9 t-80 -35.17 -64.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 29' ' ' LEU . 20.0 mm-40 -35.46 -62.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.71 54.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 82' ' ' TYR . 79.5 mt -111.69 122.88 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.17 118.96 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.1 p -114.81 146.98 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.2 m -91.51 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -98.31 -31.83 11.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -76.11 174.45 10.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.58 138.76 36.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.8 p -139.57 129.51 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -42.27 -34.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.4 m -89.66 153.26 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 119' ' ' PHE . 63.0 mt -142.75 160.06 41.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 11.2 p -122.52 118.56 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.63 116.29 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.25 158.26 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.595 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 1.7 m-20 53.68 26.42 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.28 -127.24 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 157.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.467 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.9 mt -44.48 -51.05 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.24 -34.33 0.94 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.7 m-20 -89.72 33.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.14 35.85 27.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.401 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 76.5 t -112.31 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -76.1 161.69 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -65.93 -42.1 90.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 25.1 t-20 -73.34 -3.94 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.18 -19.43 13.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.2 tp -105.02 -39.38 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -56.76 -42.69 97.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -47.97 -37.46 29.64 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.36 -27.66 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 54.9 mt -80.85 -18.58 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.4 -46.52 9.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -53.41 -30.92 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -85.79 -59.38 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.39 176.14 23.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.78 119.99 21.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.19 105.08 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.98 -42.93 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.89 123.96 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 tp -107.91 105.99 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 16.7 tp -87.43 122.5 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.6 mtp -125.07 97.42 37.96 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.599 0.714 . . . . 0.0 110.843 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 137.69 35.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.316 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 143.92 52.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.603 2.202 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 54.77 41.41 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -138.47 122.69 11.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.529 0.68 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.32 13.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CD2' HD13 ' A' ' 35' ' ' ILE . 34.9 p90 -122.35 158.53 29.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.2 m -143.64 178.71 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CG ' HG12 ' A' ' 123' ' ' VAL . 43.4 m-85 -138.05 136.1 36.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.31 151.99 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.3 ttt180 -129.92 112.69 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -81.53 179.27 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -92.41 -31.33 15.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -136.32 135.86 39.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -43.79 -56.95 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' THR . 26.2 mm-40 -37.45 -51.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -55.6 -59.82 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -41.82 -55.83 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -53.95 -49.09 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -49.74 -42.96 47.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -75.2 -37.63 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.1 t80 -61.45 -37.17 82.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -90.05 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.8 m -96.58 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' ALA . 37.6 mt -54.92 -48.77 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 43.3 t-20 -51.55 124.45 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.07 55.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.54 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -73.21 156.36 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -103.28 135.88 44.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -132.27 136.69 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.45 107.61 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.21 177.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.94 -46.0 71.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.54 -28.59 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.01 5.8 28.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.573 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -99.78 144.25 29.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -77.73 134.08 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -126.94 147.92 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.2 m -98.19 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 13.2 mt -95.46 133.32 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -105.29 120.99 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.19 127.81 42.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 27.0 m-80 -119.61 146.4 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 37.4 m-85 -73.21 129.44 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.9 m -125.95 131.41 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.14 -34.48 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -138.9 159.35 42.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.478 HG12 ' CG ' ' A' ' 84' ' ' PHE . 81.4 t -155.32 153.28 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -80.82 59.08 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.538 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.4 m95 -48.5 -58.41 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.4 t -173.36 111.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.23 163.75 31.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -4.7 14.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t 72.39 36.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -85.87 170.88 11.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 m -89.26 174.11 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -133.53 -44.15 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.75 63.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.89 111.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.4 m -144.0 169.65 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.01 -164.56 15.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' HIS . . . -93.8 25.55 3.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER 35.41 31.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' ALA . 3.4 t60 -44.09 -69.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m 49.16 24.97 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 6.5 tt -109.35 -33.11 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mt -77.81 -25.12 48.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.88 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.62 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -57.67 -25.7 60.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' HG2' ' NE2' ' A' ' 32' ' ' HIS . 25.9 mm-40 -80.85 -44.35 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.04 52.51 0.78 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.444 HD13 ' CD1' ' A' ' 82' ' ' TYR . 88.2 mt -109.29 129.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -100.81 113.28 26.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 p -112.3 146.16 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.29 -178.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 t -99.77 -48.74 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -60.8 155.6 19.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 145.1 46.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.416 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 66.3 p -149.32 126.29 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -41.55 -29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -91.05 144.4 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD23 ' CD1' ' A' ' 119' ' ' PHE . 54.0 mt -140.86 145.49 36.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 84' ' ' PHE . 10.7 p -108.16 117.44 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.82 116.37 26.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.82 158.59 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.6 m-20 53.64 26.56 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.92 -127.99 3.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 158.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -44.78 -51.99 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.01 -33.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.6 m-20 -89.34 32.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.55 27.13 17.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.5 t -104.03 104.61 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -79.88 158.0 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.96 -40.62 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.2 t-20 -74.1 -6.3 46.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.18 -15.74 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -107.39 -39.66 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -56.92 -42.65 97.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.02 -35.63 25.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.456 ' CG1' ' HE2' ' A' ' 67' ' ' LYS . 45.6 t -80.8 -31.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -79.73 -12.53 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.56 -43.28 11.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HE2' ' CG1' ' A' ' 64' ' ' VAL . 3.6 pttm -62.85 -34.97 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.2 m -74.88 -45.85 40.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.57 -177.74 36.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 mt -75.93 123.17 25.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.6 t -91.4 104.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.96 -51.14 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.08 121.91 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.86 100.99 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 26.7 tp -81.3 121.93 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.0 mtp -124.51 95.91 42.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 138.48 37.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.22 37.56 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.557 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 22.5 mmtp -135.34 121.4 14.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -5.0 15.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.3 p90 -120.54 155.04 34.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -142.24 169.91 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 46' ' ' VAL . 26.4 m-85 -128.07 122.97 33.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.64 138.82 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt180 -117.03 123.0 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.0 m-85 -93.96 -177.53 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -96.97 -34.2 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 65.0 p -137.17 125.9 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -33.56 -56.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' THR . 15.9 mm-40 -35.6 -50.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -61.49 -49.02 78.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.5 t -52.28 -53.95 37.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HE2' ' CG2' ' A' ' 90' ' ' THR . 18.4 mtmt -54.78 -48.69 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -49.94 -45.53 51.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.6 -33.48 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.498 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 25.7 t80 -65.04 -39.52 93.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.989 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.11 -19.31 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.1 m -95.33 -63.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.1 t-20 -47.67 120.95 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.41 -27.33 10.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.96 156.41 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.74 0.305 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -105.04 138.92 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.64 138.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.454 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 43.2 t -77.0 113.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.07 -178.56 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -54.15 -41.85 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.2 -27.95 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.454 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 106.38 7.05 35.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -99.87 138.22 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -74.65 129.13 37.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.6 mt -123.85 144.38 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -90.45 109.3 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mt -96.05 135.27 38.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.5 120.37 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 97' ' ' TYR . 8.4 mp -98.16 128.48 44.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.446 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 3.9 m120 -119.51 139.83 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.521 ' CD1' HD23 ' A' ' 45' ' ' LEU . 28.2 m-85 -66.34 124.05 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.416 ' N ' ' HG1' ' A' ' 42' ' ' THR . 35.4 m -126.6 144.97 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -108.04 -31.75 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -118.16 127.58 53.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.409 HG11 ' CB ' ' A' ' 84' ' ' PHE . 55.8 t -145.14 130.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.88 73.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 96.8 m95 -62.45 -55.54 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 t -174.67 112.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.38 143.79 4.72 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.02 39.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.2 p -77.33 136.43 38.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.3 m -116.98 153.29 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -79.83 99.01 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.375 . . . . 0.0 110.801 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -46.71 108.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.52 175.77 14.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -107.75 176.37 5.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.411 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.4 p -69.86 155.49 40.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.9 -133.65 10.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.8 174.73 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -42.88 89.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -89.09 122.32 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ARG . 11.8 p -59.65 -19.14 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' THR . 2.8 mp -34.37 -43.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 2.3 mm? -79.45 -41.01 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.6 OUTLIER -53.65 -44.9 69.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -54.75 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.59 -43.35 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.41 42.06 2.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.433 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -97.11 123.27 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.8 127.57 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 41.7 p -121.39 138.4 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.404 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 31.1 m -79.82 174.26 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -95.41 -44.35 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 23.2 p90 -62.68 166.95 4.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -71.17 143.1 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 p -139.64 146.38 39.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.56 -27.95 69.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -96.01 154.15 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 119' ' ' PHE . 66.1 mt -144.49 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 14.5 p -105.22 118.03 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -84.47 113.88 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.36 166.6 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 46.71 26.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.55 -128.62 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 154.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -43.07 -53.63 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.94 35.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.69 35.34 23.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG22 ' CG ' ' A' ' 107' ' ' ASP . 68.2 t -111.54 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -82.65 156.37 23.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -62.52 -39.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -71.89 -7.56 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.1 -21.37 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.0 tp -98.86 -40.83 7.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.73 -42.77 98.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -48.06 -39.66 33.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.296 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 t -77.75 -29.4 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.4 mt -81.22 -19.57 42.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 32.7 mt-10 -83.76 -45.01 13.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -54.01 -33.17 56.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 m -80.89 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.03 -175.72 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.81 126.86 32.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -94.93 107.01 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 1.1 p30 -79.16 -48.11 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -148.09 124.85 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -117.18 107.99 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 20.0 tp -88.84 123.09 32.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.0 mtp -124.73 95.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.57 25.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.53 42.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 63.49 33.41 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 67.0 mmtt -134.02 122.32 16.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.7 Cg_endo -69.87 -1.58 8.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 24.7 p90 -125.84 151.01 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.948 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 m -137.1 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.06 129.56 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.97 144.48 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -122.96 118.09 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.3 167.42 12.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -78.5 -40.47 35.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.3 p -127.83 147.08 50.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 m -52.02 -57.31 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' THR . 28.4 mt-10 -35.92 -58.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -48.01 -60.56 2.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -40.09 -58.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 37.8 mtpt -52.14 -51.15 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -48.46 -45.68 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.654 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 24.5 t80 -67.15 -37.92 84.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.3 -21.67 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.9 m -92.96 -63.91 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 65' ' ' LEU . 28.2 mt -55.21 -53.16 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.0 t-20 -48.89 122.23 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.16 -24.27 25.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -69.02 154.22 42.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -100.12 140.65 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.54 139.72 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.9 108.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.4 ' CG ' HG22 ' A' ' 56' ' ' VAL . 10.1 m-20 -72.56 176.03 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -52.48 -32.53 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.36 -29.42 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.62 12.3 30.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -111.91 141.41 45.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -74.6 123.29 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.4 mt -120.71 140.32 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -90.41 104.41 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.9 mt -88.1 149.09 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.65 118.26 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.93 128.44 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.448 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 5.5 m120 -119.29 142.96 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.654 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 25.2 m-85 -69.9 116.16 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.25 150.24 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.47 -37.18 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -113.37 121.33 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 125' ' ' TRP . 90.4 t -140.51 128.49 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.26 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 95.2 m95 -72.83 139.07 46.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.3 m -75.02 105.11 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.38 151.75 7.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 108.97 2.19 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.7 m -132.11 156.21 46.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.7 m -67.76 85.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -84.77 96.71 9.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.823 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 t -48.05 -51.29 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.57 62.12 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.6 p -109.21 111.73 23.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -171.1 143.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.23 53.62 0.71 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.98 -175.74 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -96.74 -33.27 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.497 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 1.6 p80 -113.01 161.01 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.818 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -94.14 31.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 tp -86.33 -24.48 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.6 mm? -81.71 -46.82 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -54.85 -58.33 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.06 -53.73 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE1' ' CD2' ' A' ' 82' ' ' TYR . 84.9 mt-10 -49.95 -52.28 34.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.16 48.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.546 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.42 130.63 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -99.25 115.89 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -122.03 132.64 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.8 m -82.22 177.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t -95.4 -41.63 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -72.28 158.09 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -55.83 151.36 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.52 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 7.2 p -149.65 136.82 19.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.188 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -45.82 -44.01 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.58 156.2 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 119' ' ' PHE . 39.9 mt -146.96 142.0 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 7.1 p -105.15 120.54 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.43 107.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.9 167.84 18.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 68.7 m-20 47.8 25.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.31 -129.19 3.17 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.452 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 152.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -42.12 -50.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.57 -35.75 1.43 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.512 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.9 m-20 -85.4 28.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.81 24.66 34.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.557 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.99 105.98 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -76.45 159.55 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.99 -39.31 93.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 8.6 m120 -73.87 -4.02 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -108.42 -16.19 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.9 tp -109.18 -40.46 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -55.11 -43.2 98.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.996 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.6 Cg_exo -47.98 -36.66 28.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.333 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.1 t -81.7 -23.79 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.19 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.43 -13.15 50.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -92.06 -42.33 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -34.45 74.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.0 m -79.08 -52.36 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.72 -169.81 16.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.2 mt -89.08 126.77 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.53 105.79 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.29 -49.46 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.08 124.11 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 tp -115.64 105.7 13.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -86.93 123.54 32.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.6 mtp -124.37 96.96 40.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.474 0.654 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.65 26.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 140.34 42.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.745 2.297 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 61.7 38.55 15.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 53.9 mmtt -137.63 122.62 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 1.45 4.41 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.622 2.215 . . . . 0.0 112.339 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.534 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 23.6 p90 -131.18 148.53 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.6 m -130.44 -179.78 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -137.57 120.8 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.42 146.83 32.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.491 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.2 ttp180 -122.15 103.54 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 44.1 m-85 -77.26 153.34 34.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -41.75 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.9 p -130.08 146.94 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -53.03 -51.0 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.59 -50.79 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.82 -55.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 4.1 t -44.8 -56.36 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 18.0 mtpp -52.9 -49.99 64.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -47.65 -42.96 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -74.66 -39.93 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -58.2 -35.85 72.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.5 t -90.18 -22.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.5 m -95.24 -64.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 96' ' ' ALA . 16.4 mt -53.66 -48.41 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.2 t-20 -51.59 123.09 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.83 -17.48 45.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 49.4 tttm -66.98 155.93 37.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 6.5 mp0 -104.88 147.86 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.3 m -149.05 147.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.1 t -86.44 115.15 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.94 -177.38 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -55.07 -45.69 75.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.4 mt -60.18 -29.93 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.26 11.88 24.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -96.68 144.76 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -79.75 101.65 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.63 152.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 m -105.83 101.17 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.1 134.47 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -104.56 165.33 11.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.9 mp -139.44 126.15 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.0 m-20 -120.28 135.25 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -65.23 124.77 23.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.52 ' N ' ' HG1' ' A' ' 42' ' ' THR . 24.5 m -123.96 126.19 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.89 -41.6 61.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -132.76 149.87 52.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.74 153.83 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -79.51 45.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.491 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 91.3 m95 -38.95 141.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.1 p -77.65 98.66 5.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.48 154.28 36.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.07 9.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.5 m -50.07 148.84 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t -85.57 151.22 24.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -109.55 102.96 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -55.02 -44.66 74.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.07 160.5 9.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -147.12 107.89 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 m -119.03 143.44 47.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 -167.82 20.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.41 177.87 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -57.68 -13.94 4.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.591 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -120.05 160.27 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -101.12 32.24 3.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.31 -29.37 21.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.23 -41.0 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.42 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -67.31 -44.68 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.18 -39.67 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.77 59.28 1.07 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.88 128.32 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.31 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -102.25 130.39 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' A' ' 118' ' ' ASN . 42.9 p -129.76 148.86 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.7 m -98.91 174.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -91.73 -49.59 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.6 159.12 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 94' ' ' LYS . . . -59.34 143.33 49.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -141.94 123.82 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -41.49 -31.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.9 m -94.51 142.05 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 119' ' ' PHE . 47.5 mt -134.46 145.82 49.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 84' ' ' PHE . 14.7 p -112.28 119.75 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.03 112.11 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.15 163.27 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 69.2 m-20 51.31 25.34 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.22 -127.77 3.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.34 157.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 55' ' ' GLY . 23.7 mt -45.38 -51.62 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.43 -32.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m120 -89.9 34.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.19 17.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.55 102.43 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -76.67 169.24 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -68.74 -39.42 80.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.9 t30 -72.73 -5.01 34.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -108.16 -22.23 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.2 tp -100.27 -41.54 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -54.64 -43.72 98.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.624 0.726 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.0 Cg_exo -47.94 -34.9 23.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.5 t -87.45 -20.51 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 100' ' ' LEU . 95.9 mt -87.65 -12.47 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 49.4 mt-10 -88.96 -48.81 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 -44.91 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -58.52 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.93 -158.5 8.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.1 mt -85.85 125.65 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -88.5 103.96 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -70.04 -53.21 18.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.69 130.12 12.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 tp -114.48 97.47 6.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 18.6 tp -80.5 123.42 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtp -127.44 95.68 35.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.11 34.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.2 53.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.7 m120 56.19 38.78 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -136.91 121.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.3 Cg_endo -69.8 -4.62 14.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -123.68 146.18 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -130.17 -179.8 5.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.538 ' CD1' HG11 ' A' ' 123' ' ' VAL . 44.8 m-85 -139.81 126.86 20.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.49 156.69 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.59 114.81 13.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 50.3 m-85 -84.03 175.48 9.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -87.14 -34.33 19.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -138.58 132.71 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 41' ' ' ALA . 0.7 OUTLIER -38.03 -57.57 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' THR . 53.6 mt-10 -32.66 -61.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.66 -62.38 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.458 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 11.8 t -38.76 -52.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HD3' ' CB ' ' A' ' 41' ' ' ALA . 7.4 mtmp? -57.08 -48.82 77.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -49.56 -41.53 41.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -76.7 -35.37 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.626 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 13.0 t80 -63.1 -36.92 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.02 -19.46 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.9 m -95.35 -63.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 65' ' ' LEU . 15.1 mt -56.23 -52.58 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -46.59 124.31 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.36 -27.96 6.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -57.07 163.09 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -113.57 126.95 55.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.12 141.08 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.2 t -82.04 113.27 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.53 169.98 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -49.13 -33.46 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.95 -30.06 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.49 25.92 7.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -118.03 140.87 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -73.5 114.72 12.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.1 mt -108.95 145.24 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 m -99.31 105.82 17.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.4 mt -93.82 140.17 29.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -115.89 121.6 42.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.7 128.98 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.445 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.6 m120 -119.61 138.02 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.626 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -68.89 107.07 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 m -104.43 128.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.6 -40.65 66.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -135.61 161.4 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 84' ' ' PHE . 97.2 t -159.01 135.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -59.81 77.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' VAL . 98.9 m95 -72.77 151.29 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.2 m -86.82 162.71 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -173.21 150.29 12.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -1.31 8.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 38.0 t -139.58 151.0 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.0 m -94.34 91.56 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -152.06 140.27 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.6 p -141.17 173.81 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.3 125.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -121.95 -61.18 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -132.34 101.96 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.72 -164.25 23.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.99 161.36 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.354 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.84 -45.71 10.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -104.0 152.41 22.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -85.91 32.62 0.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -87.38 -33.95 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.2 mm? -61.8 -42.03 98.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' GLU . 7.4 tpm_? -41.55 -65.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ARG . 26.2 m80 -36.71 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.2 mp0 -92.15 -46.69 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 47.03 2.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 HD11 ' CD2' ' A' ' 82' ' ' TYR . 82.4 mt -96.98 132.53 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -105.26 119.64 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 p -116.07 134.75 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' CG2' ' A' ' 42' ' ' THR . 17.0 m -78.08 -176.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -103.89 -45.07 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -68.91 157.29 36.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB1' ' CG ' ' A' ' 94' ' ' LYS . . . -61.51 134.45 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.4 ' CG2' HG23 ' A' ' 38' ' ' VAL . 52.3 p -134.53 128.59 33.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -42.39 -31.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -91.78 141.68 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 119' ' ' PHE . 40.4 mt -136.05 152.44 50.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG23 ' CE1' ' A' ' 84' ' ' PHE . 14.0 p -117.85 123.19 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 117.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.08 152.83 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.21 24.97 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.98 -127.56 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 152.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 mt -41.83 -49.94 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -36.26 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -88.45 32.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.58 29.44 48.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.15 115.76 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.091 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.0 p -86.49 158.78 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -61.33 -42.11 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.0 t-20 -74.35 -3.69 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -108.19 -16.41 14.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 24.1 tp -109.26 -38.4 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.7 tp -57.45 -42.44 95.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.9 Cg_exo -47.99 -42.71 31.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 100' ' ' LEU . 48.7 t -72.82 -24.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 100' ' ' LEU . 21.8 mt -85.65 -20.48 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -86.19 -43.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -53.04 -36.48 60.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -74.39 -63.26 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.93 -152.53 5.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.5 mt -97.29 125.6 41.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.94 106.79 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.42 -47.28 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.58 135.74 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.4 tp -120.44 100.88 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.63 120.23 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.7 mtp -122.68 96.15 45.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.16 32.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.802 2.335 . . . . 0.0 112.303 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.92 46.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.5 37.38 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -136.57 121.92 13.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.33 9.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.3 p90 -124.84 154.16 41.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -137.93 -179.9 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' CE1' HG23 ' A' ' 46' ' ' VAL . 58.1 m-85 -136.95 128.52 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.38 153.25 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -128.89 111.09 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 45.8 m-85 -86.42 146.67 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' CD ' HG21 ' A' ' 89' ' ' THR . 0.0 OUTLIER -59.34 -34.98 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.461 HG21 ' CD ' ' A' ' 88' ' ' ARG . 17.3 p -143.37 129.25 19.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -34.23 -55.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' THR . 62.1 mm-40 -34.55 -55.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.83 -45.09 90.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.7 t -55.24 -52.83 62.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 90' ' ' THR . 18.1 mtmt -55.34 -46.19 76.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -52.43 -43.48 64.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -75.66 -35.08 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 22.2 t80 -62.96 -36.18 82.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.2 t -90.2 -18.56 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.5 m -97.03 -63.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' LYS . 15.5 mt -55.99 -51.45 67.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 30.8 t-20 -42.21 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 105.43 21.85 8.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 100' ' ' LEU . 9.1 ttpp -89.95 163.26 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -110.37 128.52 55.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.2 m -138.96 132.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.25 109.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.28 179.36 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.74 -41.82 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.65 -30.53 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.7 14.95 14.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -112.29 134.67 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.95 111.21 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.2 mt -100.45 161.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -103.88 105.64 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.11 128.68 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.68 167.34 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -143.4 127.77 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -122.34 147.25 46.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.6 m-85 -76.43 113.99 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.69 151.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.18 -33.06 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -112.09 126.22 54.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.51 137.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.17 72.69 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.14 162.97 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.1 m -84.27 126.35 33.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.76 -178.33 4.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.36 25.92 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.379 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m 63.32 48.88 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.8 m -162.16 106.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.563 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 t -45.74 117.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.55 137.03 38.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.8 -140.79 8.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -89.72 160.15 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.829 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -69.98 173.92 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.6 -54.67 21.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.38 -176.88 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -68.98 -47.27 65.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.499 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -89.82 151.09 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 m -96.91 27.6 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 tt -79.81 -29.36 40.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.8 mm? -68.59 -45.57 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -49.74 -61.12 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -43.66 -31.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.01 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.78 50.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' A' ' 82' ' ' TYR . 78.6 mt -108.82 133.17 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.38 127.91 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 p -126.4 137.12 53.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.5 m -80.96 -176.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -103.0 -44.62 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 13.9 p90 -63.06 170.3 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -74.5 138.3 43.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.505 HG23 ' CE2' ' A' ' 40' ' ' TYR . 40.4 p -135.12 137.83 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -55.18 -22.51 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -102.63 151.16 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -139.86 150.32 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 9.3 p -111.38 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.32 109.99 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.58 162.06 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 51.87 25.05 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.24 -130.41 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.82 152.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -40.81 -51.98 3.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.94 -37.33 0.97 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -86.41 33.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.88 36.04 25.91 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.93 110.29 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -80.88 155.6 26.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 74' ' ' LEU . 56.3 ttt180 -62.75 -38.58 91.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 72.2 m-20 -72.7 -5.9 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -108.24 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 15.1 tp -102.13 -40.81 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.3 tp -55.85 -43.07 99.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.9 -34.28 21.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 100' ' ' LEU . 39.9 t -82.01 -27.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 100' ' ' LEU . 17.7 mt -81.38 -20.52 40.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -82.32 -33.37 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.89 -38.98 83.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 15.1 m -72.84 -49.64 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.74 -167.3 18.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.94 135.06 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.34 97.94 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.21 -50.64 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.17 127.72 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 14.8 tp -114.7 109.38 18.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.9 tp -88.99 128.26 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.3 mtp -130.16 95.27 28.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 131.31 21.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.409 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.65 40.77 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 66.67 29.76 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 mmtp -131.54 123.0 19.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.94 9.28 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.79 2.327 . . . . 0.0 112.369 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 20.6 p90 -126.29 151.07 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.3 m -135.49 172.71 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CG ' HG13 ' A' ' 123' ' ' VAL . 38.4 m-85 -132.18 128.36 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.06 151.81 31.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.0 ttp85 -125.75 113.32 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.445 ' OH ' ' CB ' ' A' ' 96' ' ' ALA . 59.0 m-85 -84.59 178.26 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -92.89 -36.43 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -135.74 134.59 39.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.9 m -40.65 -59.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' THR . 37.9 mt-10 -33.37 -51.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.48 -60.59 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -40.77 -51.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 30.3 mtpt -58.91 -47.26 85.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -52.84 -44.09 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.445 ' CB ' ' OH ' ' A' ' 87' ' ' TYR . . . -74.56 -32.74 62.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 30.2 t80 -64.42 -37.43 87.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.71 -24.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.8 m -90.18 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 65' ' ' LEU . 37.5 mt -54.78 -53.84 49.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -45.77 123.34 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.0 -27.95 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 28.5 tttt -59.27 152.69 20.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.3 mt-10 -101.58 130.49 47.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 115' ' ' LEU . 24.3 m -127.19 133.19 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.0 t -71.94 115.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -75.59 178.62 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.11 -45.05 75.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.91 -29.26 69.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.4 16.43 12.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -105.98 139.1 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -79.18 117.84 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.88 144.67 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.438 HG21 ' CE1' ' A' ' 116' ' ' TYR . 15.9 m -92.22 105.51 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.428 ' CD1' HG21 ' A' ' 105' ' ' VAL . 11.4 mt -90.95 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.438 ' CE1' HG21 ' A' ' 114' ' ' THR . 47.7 m-85 -113.96 118.5 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.1 mp -96.02 127.02 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.452 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.1 m120 -119.32 136.65 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 36.5 m-85 -63.1 122.91 17.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.95 142.13 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -106.05 -41.22 5.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -99.99 121.41 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' TRP . 97.9 t -141.26 123.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -60.19 76.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.535 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.1 m95 -69.28 123.51 21.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.1 t -76.24 163.22 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 99.95 151.7 26.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.94 34.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.9 t -58.12 147.11 31.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.4 p -93.0 138.82 31.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -133.26 147.48 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -66.1 -59.55 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.31 167.7 20.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -110.7 137.72 48.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -131.66 43.63 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 130.77 10.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.01 178.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -63.25 -19.66 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.616 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -128.67 155.78 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.37 39.75 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.67 -31.1 11.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 2.3 mm? -79.5 -22.7 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -92.82 -39.37 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.518 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.5 t-80 -65.01 -21.88 66.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.27 -25.33 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 15.96 32.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.9 mt -79.36 114.3 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.28 118.68 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.9 p -114.25 133.74 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.94 -177.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -101.67 -46.23 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -59.72 162.93 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -63.93 141.36 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.455 ' HG1' ' N ' ' A' ' 120' ' ' VAL . 35.4 p -142.76 126.7 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.7 -34.28 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.8 m -88.96 153.0 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 119' ' ' PHE . 38.9 mt -146.36 153.2 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 15.0 p -117.82 121.48 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.99 118.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.87 158.1 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 53.94 26.64 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.55 -127.78 2.97 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 152.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.4 mt -43.52 -51.35 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.87 -34.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -89.58 35.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.26 24.7 10.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.4 t -101.97 109.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -80.0 161.53 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -65.4 -35.87 82.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 5.5 m120 -73.85 -6.09 45.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.35 -15.93 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 13.7 tp -107.4 -40.23 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.35 -42.75 97.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.5 Cg_exo -47.92 -39.23 32.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.453 ' CG1' HD21 ' A' ' 100' ' ' LEU . 43.1 t -76.95 -24.4 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.93 -20.1 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 60.8 mt-10 -87.15 -41.86 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -58.34 -36.25 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.76 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.22 -167.02 10.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -87.07 122.88 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.0 t -90.83 101.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.3 -46.6 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 125.9 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 tp -113.37 103.67 11.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 20.8 tp -84.92 124.11 31.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 49.9 mtp -125.74 97.96 35.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 0.0 110.87 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.9 135.61 30.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.64 2.227 . . . . 0.0 112.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 141.65 45.28 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 59.37 38.63 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -136.55 123.49 14.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -2.75 10.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -125.47 155.29 40.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 m -138.7 177.84 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -134.57 128.72 33.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.25 143.47 47.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.527 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 22.6 ttt180 -125.16 110.25 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -78.61 175.84 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -84.33 -31.21 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.8 p -142.49 142.7 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.4 m -46.72 -55.57 7.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 12.9 mt-10 -35.25 -62.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.15 -56.47 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.06 -50.25 6.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 15.5 mtpp -58.65 -47.73 83.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -51.78 -43.72 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.96 -30.08 58.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 27.3 t80 -67.77 -36.49 80.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.34 -23.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.4 m -90.87 -59.38 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' GLY . 23.5 mt -60.08 -57.32 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -37.7 93.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 108.34 22.32 7.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' LEU . 5.9 ttpp -91.06 152.48 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -102.74 120.44 40.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.68 136.77 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.15 112.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.424 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -76.91 175.78 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -53.26 -28.81 29.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.0 mt -70.33 -26.34 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.31 10.3 42.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.47 136.05 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -70.81 98.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.424 ' CD1' ' CG ' ' A' ' 107' ' ' ASP . 2.8 mt -91.43 152.41 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.9 m -101.73 108.46 19.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 mt -94.89 136.69 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -107.69 169.93 8.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' A' ' 100' ' ' LEU . 7.2 mp -143.39 126.18 16.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 6.0 m120 -119.02 143.25 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CD1' HD22 ' A' ' 45' ' ' LEU . 20.0 m-85 -71.75 113.74 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.455 ' N ' ' HG1' ' A' ' 42' ' ' THR . 19.6 m -115.91 148.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.67 -34.55 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -109.09 120.62 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.93 126.81 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -67.15 75.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 -68.55 155.93 39.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.7 m -116.46 131.96 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.85 179.57 35.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -2.17 9.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -83.6 139.67 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.1 p -114.99 161.87 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.51 HD11 ' CG ' ' A' ' 82' ' ' TYR . 61.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -94.77 128.54 41.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 p -127.33 138.17 52.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.727 HG11 ' OH ' ' A' ' 40' ' ' TYR . 19.3 m -82.82 179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -100.24 -37.93 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.727 ' OH ' HG11 ' A' ' 38' ' ' VAL . 17.3 p90 -68.01 -178.18 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -88.59 137.73 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 55.5 p -140.37 125.57 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' THR . 55.4 mt-30 -37.17 -36.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -85.92 150.59 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 119' ' ' PHE . 34.0 mt -142.63 163.2 33.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 8.9 p -125.97 119.35 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.25 114.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.65 155.75 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 69.4 m-20 57.14 26.6 12.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.72 -126.5 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 155.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.4 mt -44.16 -50.32 8.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.58 -34.82 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.2 m-20 -88.95 33.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.27 33.34 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 54' ' ' ASN . 77.7 t -111.94 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.809 0.338 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -77.22 164.16 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG3' HD23 ' A' ' 74' ' ' LEU . 19.4 ttp180 -64.71 -41.25 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 4.1 m-20 -73.69 -2.95 25.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -108.04 -19.85 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -105.74 -39.07 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 7.2 tp -56.55 -42.77 97.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.1 Cg_exo -48.07 -36.77 29.02 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.656 2.238 . . . . 0.0 112.319 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 100' ' ' LEU . 39.3 t -80.86 -29.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 78.2 mt -78.48 -14.55 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -91.94 -45.95 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 64' ' ' VAL . 19.6 ptmt -53.62 -34.84 59.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 100' ' ' LEU . 3.7 m -81.26 -59.13 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.56 172.28 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.79 133.83 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.62 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.16 -50.08 37.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.91 127.99 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.7 tp -114.12 101.6 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 84' ' ' PHE . 18.4 tp -81.86 124.23 29.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 61.6 mtp -129.66 94.7 31.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.692 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.75 137.85 36.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.08 49.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.78 37.51 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' CE ' ' OH ' ' A' ' 82' ' ' TYR . 35.7 mmtm -134.97 121.3 14.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.69 16.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.41 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CG ' HD11 ' A' ' 35' ' ' ILE . 18.6 p90 -122.78 146.73 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 175.53 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.642 ' CG ' HG11 ' A' ' 123' ' ' VAL . 45.8 m-85 -133.08 135.84 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.66 154.31 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -130.88 110.35 11.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' HE1' HD12 ' A' ' 45' ' ' LEU . 53.4 m-85 -83.62 172.43 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -83.18 -42.67 17.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -130.27 137.5 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -41.04 -59.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.0 mt-10 -33.72 -51.91 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.64 -58.14 9.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.04 -56.67 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 36.4 mtpt -53.21 -52.03 60.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -47.4 -43.28 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.738 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.38 -31.63 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -67.42 -35.42 79.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 94' ' ' LYS . 6.6 t -89.86 -18.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -99.99 -62.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.738 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.7 mt -55.52 -48.48 74.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 45.0 t-20 -51.86 123.46 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.65 -23.62 24.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -70.08 146.89 50.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -96.07 160.28 14.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -156.18 134.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.08 126.45 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.42 -178.5 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.99 -41.84 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.7 -27.63 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.14 12.4 27.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.9 133.97 50.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -68.68 124.22 23.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.25 145.26 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 m -95.45 110.37 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 11.0 mt -100.32 147.71 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.9 m-85 -123.92 122.15 37.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.4 128.14 43.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.487 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 33.6 m-20 -119.07 146.08 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.5 m-85 -74.04 125.91 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 44' ' ' SER . 34.1 m -126.77 125.89 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.85 -43.78 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.642 HG11 ' CG ' ' A' ' 84' ' ' PHE . 95.1 t -151.63 142.62 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.49 75.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.503 HD11 ' CD2' ' A' ' 82' ' ' TYR . 85.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -107.72 112.16 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG12 ' A' ' 120' ' ' VAL . 33.9 p -106.84 144.03 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.41 HG21 ' CE1' ' A' ' 40' ' ' TYR . 31.4 m -83.48 -175.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -104.99 -40.81 5.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 42' ' ' THR . 23.0 p90 -68.74 168.24 13.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.44 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.563 HG22 ' CE2' ' A' ' 40' ' ' TYR . 45.8 p -133.93 133.8 41.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -49.23 -24.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -99.26 150.79 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 93' ' ' SER . 79.3 mt -143.62 141.55 30.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 46' ' ' VAL . 9.8 p -105.12 122.19 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.98 114.44 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.43 153.59 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 61.08 25.22 15.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -128.16 -128.92 3.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.77 157.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.413 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.6 mt -45.52 -52.01 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -32.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 t-20 -92.35 34.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.07 38.85 32.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 54' ' ' ASN . 58.4 t -112.83 117.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 m -88.52 153.55 21.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -58.8 -42.21 88.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t-20 -74.03 -3.0 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -108.16 -18.47 13.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 21.0 tp -107.29 -38.57 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -57.07 -42.61 97.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -48.02 -37.57 30.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.548 HG12 HD22 ' A' ' 100' ' ' LEU . 45.3 t -79.89 -24.53 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.6 mt -85.92 -14.4 44.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.12 -44.78 10.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -35.87 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 100' ' ' LEU . 7.8 m -77.18 -55.91 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.29 -178.75 25.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.55 128.99 35.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 62' ' ' LEU . 88.0 t -98.22 110.26 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.62 -51.85 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.31 129.98 16.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.34 105.52 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.506 HD23 ' CD2' ' A' ' 84' ' ' PHE . 22.7 tp -85.1 122.72 29.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 73.4 mtp -127.01 96.97 33.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.0 Cg_endo -69.83 138.77 38.37 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.84 49.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.08 41.96 31.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -136.96 122.41 13.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -4.76 14.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' HD11 ' A' ' 35' ' ' ILE . 18.8 p90 -123.46 153.05 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -140.17 177.05 8.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD2' HD23 ' A' ' 75' ' ' LEU . 49.0 m-85 -133.67 136.15 44.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.67 144.7 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.9 ttp180 -122.81 107.67 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -80.48 172.97 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -87.79 -29.18 21.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -138.99 141.77 38.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.8 m -50.48 -53.94 26.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 14.3 pt-20 -36.86 -52.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 67.4 mt-10 -57.99 -61.29 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.526 ' O ' HD11 ' A' ' 45' ' ' LEU . 2.1 t -38.53 -49.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.775 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.36 -53.29 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -47.59 -42.82 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.734 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.24 -33.33 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.582 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.4 t80 -65.36 -36.67 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.66 -20.18 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.7 m -96.48 -63.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 21.2 mt -54.49 -51.0 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 50.3 t-20 -50.18 117.69 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 114' ' ' THR . . . 95.91 -25.81 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.13 157.73 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.33 145.26 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 115' ' ' LEU . 14.8 m -141.34 138.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.95 107.35 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 3.1 p30 -65.36 -175.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.474 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 37.1 mt -61.61 -30.0 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.16 19.38 8.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.0 144.02 40.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -79.09 122.77 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -117.79 149.36 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 102' ' ' GLY . 5.7 m -100.9 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -91.67 146.28 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 50.9 m-85 -119.14 119.94 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.9 mp -98.56 127.43 44.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.458 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.5 m-20 -118.96 146.1 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.7 m-85 -73.51 117.66 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.686 HG12 HG22 ' A' ' 37' ' ' THR . 23.7 m -125.15 148.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.37 -37.78 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -102.66 132.75 48.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 69.5 t -157.49 136.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.25 68.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.411 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.1 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.762 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.1 mt . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -113.66 124.2 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.643 HG22 ' CG1' ' A' ' 120' ' ' VAL . 42.1 p -119.12 148.83 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 40' ' ' TYR . 24.5 m -86.88 -179.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -100.96 -44.14 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.595 ' CE1' HG21 ' A' ' 38' ' ' VAL . 20.6 p90 -61.39 158.97 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HD2' ' A' ' 94' ' ' LYS . . . -65.13 133.82 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -135.97 142.32 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.81 -32.39 65.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.401 ' CB ' HG23 ' A' ' 120' ' ' VAL . 62.4 m -88.93 143.89 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.0 mt -139.55 141.2 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 46' ' ' VAL . 12.0 p -107.36 123.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.15 115.35 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.46 147.35 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.2 m-20 66.13 26.68 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -129.67 -125.58 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.7 155.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.96 -48.79 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.39 -36.94 2.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.9 m-20 -86.26 33.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.8 15.82 3.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 54' ' ' ASN . 53.3 t -93.58 107.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.9 p -79.86 162.0 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.47 -40.84 98.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.8 t-20 -73.41 -4.43 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -108.24 -18.97 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.6 tp -105.27 -39.59 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.41 -42.99 99.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.3 Cg_exo -47.95 -40.42 32.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.517 HG12 HD22 ' A' ' 100' ' ' LEU . 37.9 t -76.25 -30.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 100' ' ' LEU . 50.5 mt -80.55 -12.45 59.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.08 -46.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -54.02 -31.78 52.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.523 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.6 m -81.11 -61.33 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.44 -167.31 10.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 mt -87.52 124.18 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.96 97.76 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.36 -45.64 62.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.8 131.48 13.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 tp -120.46 103.74 9.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 84' ' ' PHE . 29.4 tp -82.6 125.26 30.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.8 mtp -128.16 96.08 32.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 136.25 32.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.755 2.303 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 141.17 44.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 58.12 41.99 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 30.9 mmtp -139.79 121.34 9.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.878 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.69 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.762 ' CD2' HD11 ' A' ' 35' ' ' ILE . 24.7 p90 -127.56 144.4 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.7 m -129.79 177.88 6.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.7 m-85 -135.68 129.1 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.1 153.87 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 13.2 ttp85 -130.92 103.74 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 44.8 m-85 -75.43 178.22 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.0 p -139.2 138.14 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.4 m -39.48 -59.04 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' THR . 51.3 mt-10 -33.95 -64.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -47.13 -57.38 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.7 t -43.27 -58.05 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 16.8 mtpp -51.84 -50.36 61.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -48.01 -44.13 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.744 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.39 -34.22 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 17.9 t80 -64.51 -36.89 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.8 t -89.86 -23.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.5 m -91.86 -60.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.744 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 25.6 mt -57.84 -55.03 40.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -44.64 107.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.06 16.55 35.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -96.99 153.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.29 132.88 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.98 134.56 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.8 t -76.61 107.97 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.43 175.54 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.33 -41.02 50.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -61.11 -29.37 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.63 9.61 30.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -100.37 144.31 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -84.45 98.81 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 114' ' ' THR . 13.1 mt -92.06 159.87 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 113' ' ' ILE . 11.4 m -109.92 97.9 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 16.2 mt -85.56 139.66 31.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 24.5 m-85 -107.66 170.54 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.0 mp -142.92 126.61 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.632 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.2 m-20 -118.99 137.36 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 39.1 m-85 -67.19 117.0 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' A' ' 37' ' ' THR . 2.7 m -118.63 153.54 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.22 -34.94 3.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -113.59 116.26 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.74 132.57 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.63 73.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.2 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 82' ' ' TYR . 96.0 mt . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -108.2 110.26 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 120' ' ' VAL . 24.8 p -114.82 138.57 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CE1' ' A' ' 40' ' ' TYR . 34.7 m -83.5 175.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -91.79 -45.56 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 38' ' ' VAL . 13.0 p90 -66.1 172.15 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.51 148.51 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 p -146.05 127.13 14.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -39.8 -32.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 120' ' ' VAL . 66.1 m -93.82 158.69 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD12 ' CE1' ' A' ' 87' ' ' TYR . 33.6 mt -149.19 158.88 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 10.7 p -124.0 121.33 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.07 117.3 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.93 163.05 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 28.4 m-20 50.16 26.12 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.79 -127.76 3.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 155.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.561 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.5 mt -43.98 -52.71 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.54 -30.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.6 m-20 -91.71 32.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.63 29.18 31.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -106.03 110.67 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -79.94 162.97 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' HD23 ' A' ' 74' ' ' LEU . 24.8 ttm180 -68.85 -38.73 79.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.3 t-20 -73.1 -6.98 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -108.31 -19.21 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 20.1 tp -102.09 -40.59 6.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.0 tp -56.65 -42.65 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.954 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -48.01 -47.76 18.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 HD22 ' A' ' 100' ' ' LEU . 42.5 t -67.77 -27.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 62' ' ' LEU . 15.7 mt -83.58 -15.45 49.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.64 -47.01 9.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -37.59 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' HD21 ' A' ' 100' ' ' LEU . 9.8 m -73.93 -57.71 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.01 -169.09 14.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 122.46 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -90.7 104.11 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.47 -34.68 54.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.31 129.09 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.6 tp -121.2 105.11 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.1 tp -89.38 126.32 35.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.4 mtp -127.39 98.14 29.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.04 29.5 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 143.17 49.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 60.73 32.19 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 20.7 mmtm -131.98 122.14 18.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 22.9 p90 -127.05 148.45 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.2 m -130.58 -179.98 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -133.74 129.76 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.14 145.83 41.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -126.24 114.7 18.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE1' HD12 ' A' ' 45' ' ' LEU . 71.7 m-85 -91.63 168.31 11.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -79.49 -35.37 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p -137.29 148.07 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' GLU . 6.1 m -52.89 -57.63 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.9 mt-10 -34.12 -53.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.75 -56.01 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -43.85 -52.63 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 98' ' ' VAL . 28.3 mtpt -56.07 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -50.61 -42.69 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.46 -31.01 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 17.3 t80 -68.61 -37.67 79.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 94' ' ' LYS . 11.3 t -89.87 -21.55 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.3 m -92.15 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 HG12 ' A' ' 64' ' ' VAL . 27.0 mt -55.8 -54.12 48.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 37.8 t-20 -41.63 110.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.42 35.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.7 0.286 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -98.8 120.41 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.98 130.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 t -69.06 114.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.64 -175.19 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.06 -42.33 85.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.47 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.67 13.63 18.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.53 144.45 32.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -81.33 102.85 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.12 152.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.7 m -103.48 93.18 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 14.4 mt -81.21 141.79 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.79 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 m-85 -108.48 170.91 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.44 126.27 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.483 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 17.0 m-80 -119.32 144.23 46.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CE1' HD21 ' A' ' 45' ' ' LEU . 34.4 m-85 -75.33 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' SER . 33.4 m -123.91 125.46 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.45 -40.43 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.8 ptmm? -139.09 168.01 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' LYS . 78.2 t -160.53 143.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.09 70.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 123' ' ' VAL . 83.7 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.1 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.787 0.327 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -98.26 121.37 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -124.42 133.94 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.28 -176.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -99.74 -48.88 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -60.0 169.31 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.52 138.89 43.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.7 p -138.33 130.01 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -42.73 -32.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB2' HG23 ' A' ' 120' ' ' VAL . 68.0 m -88.86 153.53 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD11 ' OG ' ' A' ' 93' ' ' SER . 51.1 mt -146.65 144.39 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 46' ' ' VAL . 13.7 p -109.6 122.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.72 112.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -88.46 159.41 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 54.27 25.51 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.81 -126.86 2.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 157.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . 24.1 mt -45.42 -53.11 9.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.46 -32.85 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -90.7 34.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.91 21.44 3.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 18.4 t -96.49 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 111.094 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -79.59 154.67 28.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -58.05 -42.98 86.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 9.9 t-20 -73.05 -3.2 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -108.09 -22.07 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.6 tp -102.5 -39.56 7.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.35 -42.93 98.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.97 -36.78 28.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.48 HG12 HD22 ' A' ' 100' ' ' LEU . 33.6 t -81.2 -27.99 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.4 mt -81.59 -20.66 39.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 62' ' ' LEU . 6.8 mm-40 -87.36 -45.64 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HE3' HG13 ' A' ' 64' ' ' VAL . 10.6 pttp -52.02 -38.69 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.17 -56.15 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.02 -168.07 13.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.51 134.99 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.38 109.92 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.36 -52.17 10.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.04 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.66 99.33 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 21.1 tp -79.88 124.12 28.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 78.9 mtp -129.13 96.83 27.59 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.546 0.689 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.73 140.38 42.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.38 62.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 t30 51.94 37.76 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -133.92 121.25 15.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.6 p90 -123.07 154.44 38.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.7 m -137.71 -179.45 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.479 ' CG ' HG11 ' A' ' 123' ' ' VAL . 64.9 m-85 -141.54 118.63 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.26 151.17 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.2 ttt180 -127.6 114.69 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 45' ' ' LEU . 58.4 m-85 -87.93 177.81 6.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -89.01 -46.62 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 60.1 p -125.58 126.61 45.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.587 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -33.67 -52.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.0 mt-10 -37.58 -54.17 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.92 -55.18 35.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.507 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.4 t -47.24 -52.63 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 90' ' ' THR . 21.2 mtmt -56.4 -50.53 71.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -48.37 -41.62 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -78.89 -34.5 44.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.701 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.3 t80 -64.19 -36.52 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t -89.5 -19.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -99.11 -64.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.791 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -54.07 -48.21 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.5 t-20 -51.69 122.21 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.92 -17.69 55.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -74.26 154.56 38.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -104.94 151.52 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.01 145.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.64 112.15 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -75.89 -177.29 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.13 -39.06 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.02 -28.69 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.52 16.49 20.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -110.25 149.47 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -81.5 115.07 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.84 143.7 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.3 m -94.45 113.35 25.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.6 142.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.407 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.3 m-85 -118.75 120.59 37.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.48 128.27 43.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.489 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 15.6 m-80 -119.73 145.59 46.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 27.8 m-85 -74.72 119.64 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 44' ' ' SER . 27.0 m -115.48 130.92 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.85 -41.05 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -134.22 157.68 45.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 125' ' ' TRP . 97.8 t -156.8 130.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.08 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.542 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 95.4 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 82' ' ' TYR . 65.2 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.43 120.24 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 120' ' ' VAL . 15.0 p -121.67 134.31 54.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 40' ' ' TYR . 26.7 m -78.53 -175.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t -104.27 -42.75 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.632 ' CE1' HG21 ' A' ' 38' ' ' VAL . 9.7 p90 -63.73 174.39 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 133.52 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.5 p -131.83 146.73 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -62.06 -18.2 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -105.26 152.03 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 119' ' ' PHE . 42.5 mt -142.01 162.9 34.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.2 p -126.08 120.34 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.31 116.93 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.7 160.7 15.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.88 24.97 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . -125.9 -126.38 2.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 153.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -42.83 -49.66 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.87 -35.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 3.8 m120 -85.99 27.83 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 58.32 17.28 31.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.0 t -96.81 103.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -74.86 165.18 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -68.7 -39.49 80.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.93 -4.59 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 30.4 tp60 -108.23 -16.94 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.8 tp -107.74 -39.55 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.8 tp -56.43 -42.84 98.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.0 Cg_exo -48.07 -38.13 31.56 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 t -79.82 -27.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 100' ' ' LEU . 37.1 mt -79.34 -16.74 55.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -89.84 -46.54 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.65 -32.62 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 m -83.64 -53.85 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.82 166.58 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.97 130.51 43.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.3 t -99.01 105.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.22 -51.63 29.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.98 127.35 9.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 tp -115.19 109.31 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 84' ' ' PHE . 18.2 tp -89.29 126.38 35.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.4 mtp -129.02 96.96 27.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.542 0.686 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.78 134.48 28.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 141.67 45.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.26 35.11 18.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 37.5 mmtt -134.96 123.77 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.9 Cg_endo -69.67 -6.75 19.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 35' ' ' ILE . 28.9 p90 -120.29 152.74 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -139.32 177.19 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.563 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.4 m-85 -133.5 138.06 45.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.78 145.07 49.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.513 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.9 ttt85 -123.47 108.63 12.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -80.25 164.53 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.34 -28.22 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -136.74 134.78 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 m -47.64 -50.13 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 15.4 pt-20 -42.93 -44.18 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 86.2 mt-10 -64.42 -56.01 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 t -43.89 -51.77 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -58.75 -50.98 71.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.407 HH11 ' CB ' ' A' ' 95' ' ' ARG . 3.5 ttm105 -49.8 -46.3 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.6 -34.14 69.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 28.5 t80 -63.32 -37.6 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.04 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.8 m -93.75 -62.07 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.6 mt -57.16 -49.81 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 49.9 t-20 -51.43 125.98 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.65 -12.74 58.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -72.94 157.43 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.06 136.69 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 115' ' ' LEU . 26.8 m -134.75 146.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 110' ' ' GLY . 30.9 t -88.22 109.0 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.06 -179.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.36 -36.89 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.85 -30.68 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.462 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 104.5 15.99 19.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -106.11 150.84 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -83.56 116.86 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.11 140.05 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.5 m -94.24 109.75 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 105' ' ' VAL . 11.1 mt -94.72 140.38 29.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -113.94 117.39 31.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 100' ' ' LEU . 6.9 mp -96.06 127.1 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m120 -118.97 153.56 34.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 40.2 m-85 -80.45 121.94 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 HG22 ' A' ' 37' ' ' THR . 11.1 m -121.62 156.58 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 9.9 pt-20 -120.61 -32.39 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.53 121.17 43.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -144.54 125.1 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.22 72.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.5 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' CD2' ' A' ' 82' ' ' TYR . 74.3 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -102.06 122.83 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.9 p -122.12 144.08 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 42' ' ' THR . 29.3 m -90.53 -179.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.5 t -103.09 -41.98 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 22.8 p90 -68.68 166.52 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -66.8 139.74 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 38' ' ' VAL . 72.2 p -141.16 129.61 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -46.85 -28.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -96.15 147.77 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 87' ' ' TYR . 47.5 mt -139.17 156.55 47.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.4 p -120.85 118.28 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.16 118.07 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.49 165.13 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.515 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 93.5 m-20 48.25 26.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.07 -126.8 2.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.573 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.78 156.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.8 mt -44.0 -51.14 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.05 -34.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.515 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.0 m-20 -88.42 32.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.77 23.33 14.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.1 103.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -74.25 167.68 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' HD23 ' A' ' 74' ' ' LEU . 35.3 ttm180 -69.13 -41.42 77.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t30 -74.13 -2.96 26.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -108.17 -17.87 13.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 27.0 tp -108.21 -38.67 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.9 tp -56.8 -42.68 97.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.975 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.92 -37.34 29.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 100' ' ' LEU . 47.5 t -78.62 -29.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.0 mt -80.41 -24.68 39.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -79.39 -47.14 16.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.558 ' HE2' HG13 ' A' ' 64' ' ' VAL . 17.1 pttt -53.37 -39.47 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 m -77.26 -56.74 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.8 172.84 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.9 116.39 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG21 HD12 ' A' ' 62' ' ' LEU . 92.4 t -84.6 104.74 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.54 -34.38 47.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.64 122.89 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.3 tp -116.4 101.61 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 84' ' ' PHE . 24.8 tp -84.74 124.99 32.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 69.3 mtp -126.92 98.52 30.56 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.83 134.99 29.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 141.65 45.61 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.66 40.6 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 31.1 mmtp -138.55 123.97 12.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.84 -1.93 9.38 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.5 p90 -127.05 152.84 46.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -138.56 176.8 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 75' ' ' LEU . 51.8 m-85 -132.38 133.4 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.02 156.26 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 8.7 ttp180 -134.95 118.32 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.453 ' CE1' HD12 ' A' ' 45' ' ' LEU . 56.2 m-85 -91.34 171.6 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -84.49 -26.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -140.64 146.68 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -57.18 -54.86 41.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 17.2 pt-20 -38.42 -48.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 7.0 mm-40 -61.89 -56.56 18.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -43.3 -50.15 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -58.65 -48.18 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -49.59 -40.38 38.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.86 -33.58 52.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.7 t80 -64.88 -37.42 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 t -88.0 -19.8 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.163 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.2 m -98.6 -62.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.835 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 31.9 mt -54.41 -48.49 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.0 t-20 -54.61 119.44 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.2 -8.44 77.6 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -79.88 149.54 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.21 146.3 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.32 138.05 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.482 HG23 ' CE ' ' A' ' 112' ' ' LYS . 23.8 t -78.34 111.3 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 5.5 p30 -67.42 -176.46 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -38.17 83.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.442 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 27.3 mt -65.57 -30.84 71.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 111.65 15.25 10.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -105.3 146.95 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.482 ' CE ' HG23 ' A' ' 106' ' ' VAL . 21.4 mmtp -84.77 125.44 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -118.21 147.4 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.6 m -98.82 102.35 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -88.47 150.51 23.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.4 m-85 -125.6 117.84 24.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.444 ' O ' ' ND2' ' A' ' 101' ' ' ASN . 7.2 mp -96.05 125.56 40.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.97 141.78 48.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.497 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 25.9 m-85 -67.7 125.88 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 144.3 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -107.3 -32.71 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -110.56 129.2 55.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' TRP . 58.2 t -151.96 121.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -60.65 77.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.579 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.7 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' A' ' 82' ' ' TYR . 97.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -112.12 121.47 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.584 HG21 ' HB3' ' A' ' 118' ' ' ASN . 27.0 p -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.93 -179.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -98.01 -46.78 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' A' ' 42' ' ' THR . 25.5 p90 -64.46 171.64 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 124.63 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 20.6 p -114.02 154.07 28.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.58 -16.39 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -111.34 154.65 24.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HE2' ' A' ' 87' ' ' TYR . 83.6 mt -138.44 160.36 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.3 p -123.5 117.49 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.06 121.31 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.44 161.73 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.475 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 90.0 m-20 49.82 25.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -124.4 -127.21 3.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.15 153.17 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.41 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.3 mt -43.45 -49.98 7.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.05 -36.32 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.5 m-20 -84.47 28.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 56.71 22.1 38.77 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.27 106.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.2 m -79.19 155.76 28.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HG3' HD23 ' A' ' 74' ' ' LEU . 7.9 ttp-105 -59.43 -42.18 91.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t30 -71.16 -2.97 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -108.09 -26.46 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.0 tp -97.39 -39.82 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.2 tp -56.24 -43.02 99.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.91 -35.21 24.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.577 HG12 HD22 ' A' ' 100' ' ' LEU . 39.7 t -81.03 -28.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 100' ' ' LEU . 44.6 mt -80.08 -19.85 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.21 -47.1 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -38.03 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.7 m -71.65 -61.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.86 -176.71 23.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.51 125.91 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.0 t -94.99 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.46 -54.71 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.66 126.32 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 58' ' ' ARG . 17.2 tp -111.12 100.49 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 25.8 tp -80.97 120.87 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -124.01 96.72 41.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.5 Cg_endo -69.64 134.41 28.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.412 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.52 45.47 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 62.06 34.04 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 29.1 mmtt -132.47 124.1 18.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -4.3 13.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 35' ' ' ILE . 19.5 p90 -125.13 159.32 31.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -140.81 177.72 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -135.21 122.88 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.12 141.79 42.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.537 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 21.5 ttp180 -118.27 114.48 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.548 ' HE2' HD12 ' A' ' 45' ' ' LEU . 45.9 m-85 -88.95 154.97 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.66 -36.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.4 p -136.64 132.2 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.8 m -38.69 -53.13 1.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 90' ' ' THR . 4.6 mt-10 -34.38 -55.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.7 -56.59 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.453 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 40.6 t -43.31 -52.71 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -57.18 -50.6 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -51.94 -41.48 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.692 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.57 -32.75 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 22.8 t80 -66.29 -37.9 86.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.1 t -90.03 -18.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.0 m -97.25 -63.35 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.692 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -56.13 -49.32 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.8 t-20 -52.37 122.53 8.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.43 1.27 89.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -83.63 150.41 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -93.87 130.14 40.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.33 134.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 82.3 t -77.34 123.69 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.49 -174.92 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -53.56 -43.8 68.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.93 -28.94 69.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.59 6.8 40.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -93.06 151.33 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.67 108.59 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 mt -103.81 148.6 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.4 m -102.74 99.44 9.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.95 141.48 31.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -113.94 119.58 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 100' ' ' LEU . 8.3 mp -96.14 129.18 43.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 37' ' ' THR . 34.4 m-20 -121.32 149.03 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 45' ' ' LEU . 36.0 m-85 -75.77 114.6 14.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.0 m -117.08 138.39 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 6.8 pt-20 -103.72 -36.27 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 121' ' ' GLU . 28.6 mmtp -107.69 117.79 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.42 ' HB ' ' NE1' ' A' ' 125' ' ' TRP . 89.3 t -139.7 133.77 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 70.71 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.7 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.46 121.01 41.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 118' ' ' ASN . 35.0 p -117.55 131.88 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.7 m -79.35 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -88.62 -42.01 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 51.7 p90 -65.69 157.32 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.47 141.17 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.47 HG21 HG21 ' A' ' 38' ' ' VAL . 57.6 p -142.65 137.08 29.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -51.15 -39.54 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -83.42 154.21 24.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -145.95 155.76 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.3 p -117.47 121.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.87 112.74 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.89 160.73 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 76.8 m-20 50.83 30.15 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -130.18 -127.27 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.51 155.53 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.401 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -43.19 -51.15 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.386 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.17 -35.15 1.03 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.9 m-20 -88.08 34.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.58 28.66 10.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 38.3 t -105.11 105.0 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -77.71 156.89 30.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' HD23 ' A' ' 74' ' ' LEU . 27.8 ttt180 -59.54 -41.17 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t-20 -74.12 -4.04 33.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -108.19 -16.34 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 30.6 tp -108.98 -39.42 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.38 -42.83 98.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.06 -40.52 33.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 HD22 ' A' ' 100' ' ' LEU . 33.0 t -76.91 -27.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 62' ' ' LEU . 12.0 mt -82.18 -15.89 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.74 -40.62 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -58.1 -34.64 70.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' HD21 ' A' ' 100' ' ' LEU . 2.9 m -75.08 -50.45 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.49 -155.17 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.6 129.92 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.57 109.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.52 -46.02 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.56 130.05 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 ' HG3' ' A' ' 58' ' ' ARG . 27.1 tp -116.09 107.18 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 21.0 tp -87.58 123.24 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -126.25 95.28 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.677 . . . . 0.0 110.925 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.75 136.5 33.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.62 48.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 58.78 37.01 25.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -135.11 120.97 14.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.529 0.681 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.25 6.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.49 151.53 49.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -136.13 173.77 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.477 ' CB ' HG11 ' A' ' 123' ' ' VAL . 45.2 m-85 -132.54 121.66 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.44 148.95 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.5 ttt180 -123.85 117.01 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -89.79 159.66 16.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD3' ' CG2' ' A' ' 89' ' ' THR . 3.9 tmt_? -73.34 -38.95 65.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' ' HD3' ' A' ' 88' ' ' ARG . 11.0 p -131.21 139.45 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -46.01 -54.46 8.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.91 -57.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.1 -56.75 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -45.91 -58.37 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.09 -50.25 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -48.33 -46.83 36.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.02 -32.95 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.672 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 19.8 t80 -65.92 -39.57 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -90.16 -16.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m -97.18 -60.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 64' ' ' VAL . 35.5 mt -60.02 -53.4 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.1 t-20 -44.56 125.31 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.0 -31.1 6.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -62.83 155.78 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -102.83 137.84 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 115' ' ' LEU . 8.6 m -127.88 130.49 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.32 105.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.84 -178.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.1 -38.96 84.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.2 -20.99 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.84 20.22 22.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -108.5 145.87 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -80.77 110.89 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.8 mt -106.32 147.15 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 m -99.81 106.76 18.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 105' ' ' VAL . 13.7 mt -96.43 137.14 35.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -113.39 122.97 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.437 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.4 mp -97.19 129.15 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.497 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -120.82 143.46 48.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 34.5 m-85 -72.23 126.59 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.34 164.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.08 -37.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -107.7 119.36 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.2 t -146.01 129.26 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.63 76.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.507 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.2 m95 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.9 106.25 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 120' ' ' VAL . 61.6 p -100.47 144.06 29.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.3 m -86.09 172.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -90.65 -49.56 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' OH ' HG11 ' A' ' 38' ' ' VAL . 13.5 p90 -59.84 162.47 5.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -77.58 126.76 31.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -120.16 164.04 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -72.02 -23.7 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 120' ' ' VAL . 0.8 OUTLIER -100.78 147.13 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 87' ' ' TYR . 38.4 mt -135.75 161.69 34.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 46' ' ' VAL . 9.9 p -126.42 121.47 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.35 115.44 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.6 151.9 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 60.96 25.96 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.61 -126.1 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.4 156.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -43.77 -51.39 7.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.87 -32.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.4 m-20 -91.65 34.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.37 29.14 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.31 106.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -79.85 161.37 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' HD23 ' A' ' 74' ' ' LEU . 33.5 ttm180 -64.45 -40.07 95.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 48.8 m-20 -73.94 -3.82 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -108.18 -18.03 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 19.5 tp -107.13 -39.05 5.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.83 -42.59 97.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.4 Cg_exo -47.97 -38.39 31.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.75 2.3 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 HD22 ' A' ' 100' ' ' LEU . 45.5 t -79.73 -32.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 100' ' ' LEU . 34.8 mt -77.21 -13.06 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.23 -42.38 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -59.14 -38.66 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' A' ' 100' ' ' LEU . 8.1 m -71.31 -45.55 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.8 -160.05 10.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.21 125.94 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.54 106.46 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.72 -48.46 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.64 125.7 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.1 tp -115.83 103.79 11.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.85 127.61 34.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 63.8 mtp -130.13 96.54 25.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.8 Cg_endo -69.73 137.17 34.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 146.01 59.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.63 33.47 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -132.29 120.43 17.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.89 0.42 5.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -126.05 149.19 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -131.49 178.82 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 46' ' ' VAL . 66.0 m-85 -138.14 126.31 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.93 149.52 33.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -126.72 102.03 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' HD12 ' A' ' 45' ' ' LEU . 53.9 m-85 -76.21 157.41 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.446 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.3 -37.39 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.446 HG22 ' HD3' ' A' ' 88' ' ' ARG . 6.3 p -133.8 143.35 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -49.02 -53.23 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -38.68 -64.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.89 -56.41 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 t -42.46 -56.69 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 38.4 mtpt -53.35 -50.27 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -47.09 -40.73 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.747 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.02 -35.63 42.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.4 t80 -62.7 -35.29 79.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -90.01 -20.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -97.63 -63.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.747 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 20.2 mt -54.09 -44.64 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 42.9 t-20 -56.33 113.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.08 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -78.55 157.75 28.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -106.01 134.04 49.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 105' ' ' VAL . 5.1 m -132.02 125.52 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.49 109.18 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -178.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -42.43 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -25.32 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.96 14.66 24.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -106.56 142.29 36.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -82.18 125.83 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.3 mt -122.14 143.27 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.3 m -91.88 111.14 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.32 135.66 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.409 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 m-85 -110.38 125.59 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.6 mp -99.28 129.1 45.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.585 ' HB3' HG21 ' A' ' 37' ' ' THR . 9.1 m120 -121.18 140.68 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.4 m-85 -69.5 122.95 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 37' ' ' THR . 24.0 m -126.7 146.46 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.44 -38.34 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -107.91 125.66 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 96.4 t -141.68 144.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.31 66.21 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 93.7 m95 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -100.28 127.37 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 118' ' ' ASN . 6.6 p -123.46 144.24 49.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.9 179.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -98.95 -46.92 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -62.25 159.31 15.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 136.93 56.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.9 p -132.78 136.3 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -51.55 -28.66 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 86' ' ' ARG . 7.2 m -97.43 161.36 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -147.31 166.11 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.9 p -129.86 115.66 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.71 122.71 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.54 163.68 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 47.74 27.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.01 -129.85 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.37 156.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 55' ' ' GLY . 18.3 mt -44.95 -52.54 8.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.899 0.38 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.0 0.33 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.9 t-20 -91.66 36.54 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 47.64 32.85 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ASN . 40.7 t -107.65 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -78.61 158.11 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.623 ' HG3' HD23 ' A' ' 74' ' ' LEU . 23.9 ttp85 -63.5 -39.54 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.6 m-20 -74.46 -5.2 41.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -108.15 -15.0 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.0 tp -109.43 -40.02 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.0 tp -55.92 -43.09 99.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.6 Cg_exo -47.94 -43.0 30.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.571 HG12 HD22 ' A' ' 100' ' ' LEU . 27.9 t -71.61 -28.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.4 mt -81.51 -19.28 42.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.2 -47.39 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -34.72 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.468 ' SG ' HD21 ' A' ' 100' ' ' LEU . 5.3 m -78.64 -50.01 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.89 -175.92 28.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 47.7 mt -76.97 134.08 38.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -105.88 109.45 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.35 -51.91 10.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 127.52 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.0 tp -111.55 108.4 17.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 24.9 tp -85.21 127.23 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 mtp -130.04 94.8 30.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.6 30.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.758 2.305 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.83 46.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 59.63 37.43 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HZ2' ' HG3' ' A' ' 80' ' ' LYS . 24.1 mmtp -135.69 121.07 13.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.0 Cg_endo -69.83 0.73 5.27 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CD2' HD11 ' A' ' 35' ' ' ILE . 11.4 p90 -130.77 147.98 52.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.0 m -131.08 176.09 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 46' ' ' VAL . 58.3 m-85 -134.08 125.21 27.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.73 150.08 28.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt85 -125.94 102.95 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -76.29 156.13 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -74.16 -30.13 62.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -137.21 144.13 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 m -52.74 -59.36 4.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 39.9 mt-10 -34.44 -60.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.404 ' OE1' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -50.31 -54.53 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -46.07 -59.64 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -50.69 -51.63 47.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -47.27 -42.17 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.08 -33.17 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.8 t80 -65.29 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.57 -17.88 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.0 m -100.85 -62.81 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.86 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 29.1 mt -53.88 -49.01 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 116' ' ' TYR . 54.2 t-20 -54.25 109.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.07 -19.76 42.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.97 148.19 47.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -91.36 142.55 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 115' ' ' LEU . 4.8 m -139.46 138.32 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.74 116.34 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -74.16 177.27 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.63 -31.35 64.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.0 -30.26 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.81 20.98 8.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.11 150.95 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -81.55 125.53 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.55 141.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -93.23 106.24 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -97.64 135.28 39.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.496 ' CD2' ' OD1' ' A' ' 101' ' ' ASN . 34.6 m-85 -112.07 127.49 55.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 100' ' ' LEU . 7.0 mp -102.96 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.442 ' HB3' HG21 ' A' ' 37' ' ' THR . 11.9 m-80 -119.38 143.76 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.8 m-85 -70.37 127.1 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -128.31 150.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.48 -34.1 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -116.25 122.55 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.28 130.95 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -66.01 76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.8 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.811 0.338 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -115.5 125.4 53.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.675 HG21 ' CB ' ' A' ' 118' ' ' ASN . 33.1 p -115.95 151.29 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 16.9 m -84.81 -179.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -94.07 -47.56 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -64.7 161.06 18.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.5 147.02 53.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' SER . 29.6 p -142.39 126.53 17.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -38.15 -31.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.4 p -95.1 157.67 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 87' ' ' TYR . 50.1 mt -147.01 151.95 37.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.61 ' HB ' HG11 ' A' ' 120' ' ' VAL . 14.9 p -115.99 120.98 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.2 122.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -95.75 159.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.0 m-20 53.71 26.23 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.81 -127.4 3.08 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 156.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.515 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -43.66 -50.85 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.25 -34.79 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.493 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -87.54 32.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 53.26 19.63 8.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.445 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' ASN . 64.8 t -97.41 106.99 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m -80.69 159.59 25.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' HD23 ' A' ' 74' ' ' LEU . 28.0 ttp180 -60.8 -42.07 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.2 t-20 -74.56 -3.46 31.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -108.13 -16.11 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 26.0 tp -110.04 -38.56 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.94 -42.75 97.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.5 Cg_exo -47.95 -36.94 28.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 100' ' ' LEU . 44.4 t -79.7 -30.41 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.7 mt -79.3 -14.96 58.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.96 -46.03 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.95 45.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -82.05 -69.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.57 -178.94 15.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -77.16 131.55 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG21 HD12 ' A' ' 62' ' ' LEU . 57.6 t -100.0 103.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.29 -53.9 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.46 123.58 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD23 ' HG3' ' A' ' 58' ' ' ARG . 20.3 tp -109.89 101.75 10.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 27.0 tp -82.62 125.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtp -127.53 95.73 34.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.63 30.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 142.92 49.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.632 2.221 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.83 36.95 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 43.8 mmtt -136.11 122.67 14.1 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.685 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.8 12.79 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 36.3 p90 -122.18 155.97 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.9 m -142.22 170.51 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.1 m-85 -127.86 136.97 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.08 153.07 40.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 5.0 ttt180 -130.19 106.19 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CE1' HD12 ' A' ' 45' ' ' LEU . 48.0 m-85 -78.86 158.56 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -74.48 -26.41 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -139.81 149.08 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -59.85 -49.7 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 10.1 pt-20 -44.16 -48.11 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 37.2 mm-40 -59.4 -57.58 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -41.47 -54.22 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 98' ' ' VAL . 14.6 mtpp -56.19 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -50.02 -39.62 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.785 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.61 -34.5 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 23.0 t80 -63.98 -35.5 80.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' LYS . 9.4 t -89.9 -19.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -98.62 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.785 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 19.7 mt -54.42 -48.14 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.4 t-20 -54.35 120.58 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.23 -9.86 76.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -76.8 146.34 37.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -94.25 134.72 36.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 115' ' ' LEU . 23.5 m -134.32 131.07 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG13 ' HA2' ' A' ' 110' ' ' GLY . 19.5 t -74.94 108.97 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.63 175.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.13 -32.59 55.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.95 -34.25 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.441 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 113.52 10.0 15.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -102.77 141.07 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.967 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -78.39 121.06 24.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.0 mt -117.65 140.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 m -91.07 104.64 17.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -88.8 139.16 30.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 31.8 m-85 -116.54 121.81 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.8 mp -101.6 128.96 47.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.675 ' CB ' HG21 ' A' ' 37' ' ' THR . 7.9 m120 -119.01 151.98 37.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 45' ' ' LEU . 17.0 m-85 -78.46 108.18 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.648 HG12 HG22 ' A' ' 37' ' ' THR . 20.4 m -104.26 134.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.475 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 4.3 pt-20 -87.67 -43.26 12.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -123.77 139.8 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 87.0 t -140.99 141.98 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -74.76 74.97 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 98.9 m95 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' CD2' ' A' ' 82' ' ' TYR . 79.5 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.17 118.96 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.1 p -114.81 146.98 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OH ' ' A' ' 40' ' ' TYR . 12.2 m -91.51 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -98.31 -31.83 11.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 38' ' ' VAL . 24.0 p90 -76.11 174.45 10.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.58 138.76 36.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.8 p -139.57 129.51 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -42.27 -34.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.4 m -89.66 153.26 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -142.75 160.06 41.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.2 p -122.52 118.56 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.63 116.29 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.25 158.26 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.471 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.7 m-20 53.68 26.42 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.28 -127.24 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 157.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.467 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.9 mt -44.48 -51.05 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.24 -34.33 0.94 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.7 m-20 -89.72 33.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.14 35.85 27.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 54' ' ' ASN . 76.5 t -112.31 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -76.1 161.69 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.594 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.8 ttp85 -65.93 -42.1 90.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 25.1 t-20 -73.34 -3.94 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.18 -19.43 13.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 56' ' ' VAL . 17.2 tp -105.02 -39.38 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -56.76 -42.69 97.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -47.97 -37.46 29.64 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.6 HG12 HD22 ' A' ' 100' ' ' LEU . 47.2 t -78.36 -27.66 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 54.9 mt -80.85 -18.58 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.4 -46.52 9.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -53.41 -30.92 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -85.79 -59.38 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.39 176.14 23.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.78 119.99 21.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.19 105.08 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.98 -42.93 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.89 123.96 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.594 HD23 ' HG3' ' A' ' 58' ' ' ARG . 12.7 tp -107.91 105.99 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 125' ' ' TRP . 16.7 tp -87.43 122.5 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 71.6 mtp -125.07 97.42 37.96 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.599 0.714 . . . . 0.0 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.82 137.69 35.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 143.92 52.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.603 2.202 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 54.77 41.41 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -138.47 122.69 11.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.529 0.68 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.32 13.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD2' HD11 ' A' ' 35' ' ' ILE . 34.9 p90 -122.35 158.53 29.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.2 m -143.64 178.71 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.411 ' CG ' HG11 ' A' ' 123' ' ' VAL . 43.4 m-85 -138.05 136.1 36.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.31 151.99 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.3 ttt180 -129.92 112.69 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -81.53 179.27 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -92.41 -31.33 15.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -136.32 135.86 39.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -43.79 -56.95 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' THR . 26.2 mm-40 -37.45 -51.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -55.6 -59.82 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -41.82 -55.83 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 98' ' ' VAL . 5.0 mtpm? -53.95 -49.09 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -49.74 -42.96 47.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.771 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.2 -37.63 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.1 t80 -61.45 -37.17 82.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 94' ' ' LYS . 4.6 t -90.05 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.8 m -96.58 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.771 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 37.6 mt -54.92 -48.77 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 43.3 t-20 -51.55 124.45 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.07 55.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.54 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -73.21 156.36 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -103.28 135.88 44.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -132.27 136.69 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.45 107.61 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.21 177.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.94 -46.0 71.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.54 -28.59 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.01 5.8 28.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.573 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -99.78 144.25 29.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -77.73 134.08 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -126.94 147.92 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.2 m -98.19 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 13.2 mt -95.46 133.32 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -105.29 120.99 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.19 127.81 42.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.482 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 27.0 m-80 -119.61 146.4 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 37.4 m-85 -73.21 129.44 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.9 m -125.95 131.41 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.14 -34.48 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -138.9 159.35 42.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 124' ' ' GLN . 81.4 t -155.32 153.28 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.421 ' N ' HG12 ' A' ' 123' ' ' VAL . 5.3 pt20 -80.82 59.08 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.4 m95 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 82' ' ' TYR . 88.2 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -100.81 113.28 26.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.418 HG22 HG12 ' A' ' 120' ' ' VAL . 22.3 p -112.3 146.16 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.29 -178.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 t -99.77 -48.74 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -60.8 155.6 19.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 145.1 46.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -149.32 126.29 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -41.55 -29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 120' ' ' VAL . 4.2 m -91.05 144.4 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 119' ' ' PHE . 54.0 mt -140.86 145.49 36.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 46' ' ' VAL . 10.7 p -108.16 117.44 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.82 116.37 26.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.82 158.59 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.6 m-20 53.64 26.56 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.92 -127.99 3.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 158.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -44.78 -51.99 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.01 -33.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.6 m-20 -89.34 32.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.55 27.13 17.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 61' ' ' LEU . 35.5 t -104.03 104.61 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -79.88 158.0 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.96 -40.62 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.2 t-20 -74.1 -6.3 46.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.18 -15.74 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 56' ' ' VAL . 14.7 tp -107.39 -39.66 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -56.92 -42.65 97.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.02 -35.63 25.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG13 ' HE2' ' A' ' 67' ' ' LYS . 45.6 t -80.8 -31.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 100' ' ' LEU . 21.2 mt -79.73 -12.53 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.56 -43.28 11.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.809 ' HE2' HG13 ' A' ' 64' ' ' VAL . 3.6 pttm -62.85 -34.97 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.2 m -74.88 -45.85 40.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.57 -177.74 36.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 mt -75.93 123.17 25.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 62' ' ' LEU . 97.6 t -91.4 104.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.96 -51.14 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.08 121.91 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.86 100.99 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.493 HD23 ' HD2' ' A' ' 84' ' ' PHE . 26.7 tp -81.3 121.93 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.0 mtp -124.51 95.91 42.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.75 138.48 37.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.22 37.56 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 22.5 mmtp -135.34 121.4 14.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -5.0 15.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.3 p90 -120.54 155.04 34.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -142.24 169.91 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' HD2' HD23 ' A' ' 75' ' ' LEU . 26.4 m-85 -128.07 122.97 33.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.64 138.82 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt180 -117.03 123.0 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.0 m-85 -93.96 -177.53 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -96.97 -34.2 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 65.0 p -137.17 125.9 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -33.56 -56.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' THR . 15.9 mm-40 -35.6 -50.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -61.49 -49.02 78.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.5 t -52.28 -53.95 37.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.4 mtmt -54.78 -48.69 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -49.94 -45.53 51.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -72.6 -33.48 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.498 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 25.7 t80 -65.04 -39.52 93.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.989 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.11 -19.31 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.1 m -95.33 -63.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.681 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 27.2 mt -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.1 t-20 -47.67 120.95 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 114' ' ' THR . . . 92.41 -27.33 10.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.96 156.41 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.74 0.305 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -105.04 138.92 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 115' ' ' LEU . 14.9 m -136.64 138.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 ' HA2' ' A' ' 110' ' ' GLY . 43.2 t -77.0 113.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.07 -178.56 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -54.15 -41.85 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.2 -27.95 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 106.38 7.05 35.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -99.87 138.22 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -74.65 129.13 37.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.6 mt -123.85 144.38 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' GLY . 6.9 m -90.45 109.3 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.639 HD11 HG21 ' A' ' 105' ' ' VAL . 10.9 mt -96.05 135.27 38.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.5 120.37 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 100' ' ' LEU . 8.4 mp -98.16 128.48 44.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 3.9 m120 -119.51 139.83 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.498 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.2 m-85 -66.34 124.05 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' SER . 35.4 m -126.6 144.97 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -108.04 -31.75 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -118.16 127.58 53.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.14 130.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.88 73.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 96.8 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.8 127.57 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.572 HG21 ' HB3' ' A' ' 118' ' ' ASN . 41.7 p -121.39 138.4 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.1 m -79.82 174.26 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -95.41 -44.35 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 38' ' ' VAL . 23.2 p90 -62.68 166.95 4.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -71.17 143.1 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 p -139.64 146.38 39.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.56 -27.95 69.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -96.01 154.15 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' HE1' ' A' ' 87' ' ' TYR . 66.1 mt -144.49 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.5 p -105.22 118.03 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -84.47 113.88 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.36 166.6 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 46.71 26.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.55 -128.62 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 154.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -43.07 -53.63 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 t-20 -90.94 35.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.69 35.34 23.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ASN . 68.2 t -111.54 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -82.65 156.37 23.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -62.52 -39.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -71.89 -7.56 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -108.1 -21.37 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.0 tp -98.86 -40.83 7.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.73 -42.77 98.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -48.06 -39.66 33.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.296 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 100' ' ' LEU . 35.0 t -77.75 -29.4 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.4 mt -81.22 -19.57 42.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 32.7 mt-10 -83.76 -45.01 13.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -54.01 -33.17 56.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' HD21 ' A' ' 100' ' ' LEU . 34.2 m -80.89 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.03 -175.72 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.81 126.86 32.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -94.93 107.01 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 1.1 p30 -79.16 -48.11 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -148.09 124.85 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -117.18 107.99 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 84' ' ' PHE . 20.0 tp -88.84 123.09 32.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.0 mtp -124.73 95.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.57 25.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.53 42.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 63.49 33.41 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 67.0 mmtt -134.02 122.32 16.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 52.7 Cg_endo -69.87 -1.58 8.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 24.7 p90 -125.84 151.01 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.948 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 m -137.1 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 75' ' ' LEU . 52.9 m-85 -132.06 129.56 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.97 144.48 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -122.96 118.09 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.555 ' HE1' HD12 ' A' ' 45' ' ' LEU . 61.1 m-85 -90.3 167.42 12.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -78.5 -40.47 35.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.3 p -127.83 147.08 50.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 m -52.02 -57.31 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' THR . 28.4 mt-10 -35.92 -58.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -48.01 -60.56 2.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -40.09 -58.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 37.8 mtpt -52.14 -51.15 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -48.46 -45.68 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.654 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 24.5 t80 -67.15 -37.92 84.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.3 -21.67 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.9 m -92.96 -63.91 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 64' ' ' VAL . 28.2 mt -55.21 -53.16 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.0 t-20 -48.89 122.23 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 114' ' ' THR . . . 93.16 -24.27 25.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -69.02 154.22 42.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -100.12 140.65 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 115' ' ' LEU . 6.3 m -137.54 139.72 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.9 108.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.652 ' OD2' HD12 ' A' ' 113' ' ' ILE . 10.1 m-20 -72.56 176.03 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -52.48 -32.53 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.36 -29.42 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.62 12.3 30.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -111.91 141.41 45.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -74.6 123.29 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.652 HD12 ' OD2' ' A' ' 107' ' ' ASP . 8.4 mt -120.71 140.32 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 102' ' ' GLY . 13.1 m -90.41 104.41 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -88.1 149.09 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.442 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.6 m-85 -120.65 118.26 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.93 128.44 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.572 ' HB3' HG21 ' A' ' 37' ' ' THR . 5.5 m120 -119.29 142.96 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.654 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 25.2 m-85 -69.9 116.16 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.615 HG23 ' HB2' ' A' ' 44' ' ' SER . 29.6 m -117.25 150.24 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.47 -37.18 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -113.37 121.33 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.417 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.4 t -140.51 128.49 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.26 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.44 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 95.2 m95 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 82' ' ' TYR . 65.7 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -99.25 115.89 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.669 HG22 HG12 ' A' ' 120' ' ' VAL . 43.9 p -122.03 132.64 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG13 ' HG2' ' A' ' 121' ' ' GLU . 33.8 m -82.22 177.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t -95.4 -41.63 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -72.28 158.09 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -55.83 151.36 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 p -149.65 136.82 19.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -45.82 -44.01 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.58 156.2 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.702 HD11 ' OG ' ' A' ' 93' ' ' SER . 39.9 mt -146.96 142.0 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 46' ' ' VAL . 7.1 p -105.15 120.54 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.43 107.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.742 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -81.9 167.84 18.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 47.8 25.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.31 -129.19 3.17 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.452 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 152.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -42.12 -50.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.57 -35.75 1.43 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.512 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.9 m-20 -85.4 28.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.81 24.66 34.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.557 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.7 t -100.99 105.98 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -76.45 159.55 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.99 -39.31 93.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 8.6 m120 -73.87 -4.02 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -108.42 -16.19 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.9 tp -109.18 -40.46 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -55.11 -43.2 98.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.996 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.6 Cg_exo -47.98 -36.66 28.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.333 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.57 HG12 HD22 ' A' ' 100' ' ' LEU . 26.1 t -81.7 -23.79 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.19 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.7 mt -85.43 -13.15 50.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -92.06 -42.33 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -34.45 74.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.0 m -79.08 -52.36 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.72 -169.81 16.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.2 mt -89.08 126.77 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.53 105.79 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.29 -49.46 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.08 124.11 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 tp -115.64 105.7 13.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.687 HD22 ' HA ' ' A' ' 125' ' ' TRP . 22.2 tp -86.93 123.54 32.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.6 mtp -124.37 96.96 40.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.474 0.654 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.65 26.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 140.34 42.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.745 2.297 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 61.7 38.55 15.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 53.9 mmtt -137.63 122.62 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 1.45 4.41 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.622 2.215 . . . . 0.0 112.339 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 23.6 p90 -131.18 148.53 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.6 m -130.44 -179.78 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.423 ' CE1' HG23 ' A' ' 46' ' ' VAL . 77.7 m-85 -137.57 120.8 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.42 146.83 32.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.2 ttp180 -122.15 103.54 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 44.1 m-85 -77.26 153.34 34.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.511 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -64.68 -41.75 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.511 HG22 ' HD3' ' A' ' 88' ' ' ARG . 2.9 p -130.08 146.94 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -53.03 -51.0 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.59 -50.79 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.82 -55.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.702 ' OG ' HD11 ' A' ' 45' ' ' LEU . 4.1 t -44.8 -56.36 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 18.0 mtpp -52.9 -49.99 64.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -47.65 -42.96 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.66 -39.93 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -58.2 -35.85 72.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.5 t -90.18 -22.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.5 m -95.24 -64.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.796 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 16.4 mt -53.66 -48.41 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.2 t-20 -51.59 123.09 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.83 -17.48 45.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 49.4 tttm -66.98 155.93 37.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 6.5 mp0 -104.88 147.86 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.3 m -149.05 147.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 110' ' ' GLY . 44.1 t -86.44 115.15 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.94 -177.38 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -55.07 -45.69 75.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.4 mt -60.18 -29.93 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 107.26 11.88 24.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -96.68 144.76 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -79.75 101.65 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.63 152.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 m -105.83 101.17 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.1 134.47 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.742 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 86.5 m-85 -104.56 165.33 11.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.9 mp -139.44 126.15 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.0 m-20 -120.28 135.25 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -65.23 124.77 23.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.669 HG12 HG22 ' A' ' 37' ' ' THR . 24.5 m -123.96 126.19 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.419 ' HG2' HG13 ' A' ' 38' ' ' VAL . 6.5 pt-20 -73.89 -41.6 61.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -132.76 149.87 52.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 124' ' ' GLN . 77.4 t -136.74 153.83 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -79.51 45.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.687 ' HA ' HD22 ' A' ' 75' ' ' LEU . 91.3 m95 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.752 0.31 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -102.25 130.39 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 118' ' ' ASN . 42.9 p -129.76 148.86 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 42' ' ' THR . 28.7 m -98.91 174.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -91.73 -49.59 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.6 159.12 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . . . -59.34 143.33 49.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.485 HG21 ' CG2' ' A' ' 38' ' ' VAL . 77.4 p -141.94 123.82 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -41.49 -31.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.465 ' CB ' HG23 ' A' ' 120' ' ' VAL . 20.9 m -94.51 142.05 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.5 mt -134.46 145.82 49.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.7 p -112.28 119.75 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.03 112.11 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.15 163.27 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 51.31 25.34 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.22 -127.77 3.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.34 157.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 55' ' ' GLY . 23.7 mt -45.38 -51.62 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.43 -32.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.5 m120 -89.9 34.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.19 17.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.0 t -97.55 102.43 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -76.67 169.24 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.604 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.9 ttp180 -68.74 -39.42 80.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.9 t30 -72.73 -5.01 34.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.16 -22.23 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.513 HD13 HG11 ' A' ' 56' ' ' VAL . 16.2 tp -100.27 -41.54 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -54.64 -43.72 98.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.624 0.726 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.0 Cg_exo -47.94 -34.9 23.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 100' ' ' LEU . 13.5 t -87.45 -20.51 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 100' ' ' LEU . 95.9 mt -87.65 -12.47 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 49.4 mt-10 -88.96 -48.81 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 -44.91 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -61.87 -58.52 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.93 -158.5 8.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.1 mt -85.85 125.65 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.473 HG21 HD12 ' A' ' 62' ' ' LEU . 84.7 t -88.5 103.96 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -70.04 -53.21 18.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.69 130.12 12.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' ARG . 24.4 tp -114.48 97.47 6.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 18.6 tp -80.5 123.42 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtp -127.44 95.68 35.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.11 34.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.2 53.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.7 m120 56.19 38.78 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -136.91 121.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.3 Cg_endo -69.8 -4.62 14.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -123.68 146.18 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -130.17 -179.8 5.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.788 ' CG ' HG11 ' A' ' 123' ' ' VAL . 44.8 m-85 -139.81 126.86 20.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.49 156.69 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.59 114.81 13.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 50.3 m-85 -84.03 175.48 9.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -87.14 -34.33 19.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -138.58 132.71 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -38.03 -57.57 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' THR . 53.6 mt-10 -32.66 -61.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.66 -62.38 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.673 ' OG ' HD11 ' A' ' 45' ' ' LEU . 11.8 t -38.76 -52.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 41' ' ' ALA . 7.4 mtmp? -57.08 -48.82 77.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -49.56 -41.53 41.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.7 -35.37 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.626 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 13.0 t80 -63.1 -36.92 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.02 -19.46 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.9 m -95.35 -63.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 64' ' ' VAL . 15.1 mt -56.23 -52.58 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -46.59 124.31 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.36 -27.96 6.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 30.6 tttt -57.07 163.09 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 41.2 mt-10 -113.57 126.95 55.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 115' ' ' LEU . 17.6 m -123.12 141.08 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 110' ' ' GLY . 18.2 t -82.04 113.27 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.53 169.98 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -49.13 -33.46 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.95 -30.06 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 103.49 25.92 7.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -118.03 140.87 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -73.5 114.72 12.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.1 mt -108.95 145.24 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 m -99.31 105.82 17.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 105' ' ' VAL . 16.4 mt -93.82 140.17 29.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.0 m-85 -115.89 121.6 42.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.7 128.98 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -119.61 138.02 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.626 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -68.89 107.07 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 44' ' ' SER . 11.2 m -104.43 128.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.6 -40.65 66.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -135.61 161.4 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.788 HG11 ' CG ' ' A' ' 84' ' ' PHE . 97.2 t -159.01 135.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -59.81 77.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' VAL . 98.9 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.412 HD11 ' CD2' ' A' ' 82' ' ' TYR . 82.4 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -105.26 119.64 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 118' ' ' ASN . 29.2 p -116.07 134.75 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' ' 42' ' ' THR . 17.0 m -78.08 -176.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -103.89 -45.07 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -68.91 157.29 36.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.51 134.45 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 38' ' ' VAL . 52.3 p -134.53 128.59 33.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -42.39 -31.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -91.78 141.68 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.513 HD11 ' OG ' ' A' ' 93' ' ' SER . 40.4 mt -136.05 152.44 50.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.0 p -117.85 123.19 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 117.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.08 152.83 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.21 24.97 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.98 -127.56 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 152.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 mt -41.83 -49.94 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -36.26 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 50' ' ' GLY . 5.9 t-20 -88.45 32.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.58 29.44 48.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.15 115.76 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.091 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.0 p -86.49 158.78 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -61.33 -42.11 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.0 t-20 -74.35 -3.69 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 27.7 tp60 -108.19 -16.41 14.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 24.1 tp -109.26 -38.4 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.7 tp -57.45 -42.44 95.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.9 Cg_exo -47.99 -42.71 31.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 100' ' ' LEU . 48.7 t -72.82 -24.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 62' ' ' LEU . 21.8 mt -85.65 -20.48 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 62' ' ' LEU . 93.8 mt-10 -86.19 -43.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -53.04 -36.48 60.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -74.39 -63.26 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.93 -152.53 5.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.5 mt -97.29 125.6 41.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.94 106.79 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.42 -47.28 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.58 135.74 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.4 tp -120.44 100.88 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 84' ' ' PHE . 16.5 tp -84.63 120.23 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 74.7 mtp -122.68 96.15 45.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.8 136.16 32.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.802 2.335 . . . . 0.0 112.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.92 46.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.5 37.38 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -136.57 121.92 13.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.33 9.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.3 p90 -124.84 154.16 41.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -137.93 -179.9 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.591 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.1 m-85 -136.95 128.52 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.38 153.25 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -128.89 111.09 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 45' ' ' LEU . 45.8 m-85 -86.42 146.67 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 89' ' ' THR . 0.0 OUTLIER -59.34 -34.98 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.451 HG23 ' CD ' ' A' ' 88' ' ' ARG . 17.3 p -143.37 129.25 19.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -34.23 -55.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' THR . 62.1 mm-40 -34.55 -55.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.83 -45.09 90.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.513 ' OG ' HD11 ' A' ' 45' ' ' LEU . 1.7 t -55.24 -52.83 62.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.1 mtmt -55.34 -46.19 76.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -52.43 -43.48 64.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.66 -35.08 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 22.2 t80 -62.96 -36.18 82.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' LYS . 8.2 t -90.2 -18.56 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.5 m -97.03 -63.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 64' ' ' VAL . 15.5 mt -55.99 -51.45 67.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 30.8 t-20 -42.21 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 105.43 21.85 8.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 100' ' ' LEU . 9.1 ttpp -89.95 163.26 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -110.37 128.52 55.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.485 HG21 HD11 ' A' ' 115' ' ' LEU . 5.2 m -138.96 132.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.25 109.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.28 179.36 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.74 -41.82 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.65 -30.53 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.7 14.95 14.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -112.29 134.67 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.95 111.21 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 114' ' ' THR . 9.2 mt -100.45 161.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 113' ' ' ILE . 2.2 m -103.88 105.64 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 105' ' ' VAL . 22.4 mt -93.11 128.68 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.831 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.1 m-85 -98.68 167.34 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.4 127.77 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.489 ' CB ' HG21 ' A' ' 37' ' ' THR . 5.8 m-80 -122.34 147.25 46.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.6 m-85 -76.43 113.99 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.69 151.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.18 -33.06 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -112.09 126.22 54.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.51 137.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.17 72.69 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.949 HD11 ' CD2' ' A' ' 82' ' ' TYR . 78.6 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.845 0.355 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.38 127.91 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.42 HG21 ' HB3' ' A' ' 118' ' ' ASN . 16.4 p -126.4 137.12 53.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 40' ' ' TYR . 17.5 m -80.96 -176.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -103.0 -44.62 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 13.9 p90 -63.06 170.3 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -74.5 138.3 43.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 40.4 p -135.12 137.83 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -55.18 -22.51 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -102.63 151.16 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HE1' ' A' ' 87' ' ' TYR . 78.5 mt -139.86 150.32 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 46' ' ' VAL . 9.3 p -111.38 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.32 109.99 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.58 162.06 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 51.87 25.05 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.24 -130.41 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.82 152.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -40.81 -51.98 3.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.94 -37.33 0.97 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -86.41 33.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.88 36.04 25.91 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.93 110.29 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -80.88 155.6 26.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 74' ' ' LEU . 56.3 ttt180 -62.75 -38.58 91.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 72.2 m-20 -72.7 -5.9 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -108.24 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 15.1 tp -102.13 -40.81 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.3 tp -55.85 -43.07 99.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.9 -34.28 21.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.714 HG12 HD22 ' A' ' 100' ' ' LEU . 39.9 t -82.01 -27.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.7 mt -81.38 -20.52 40.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -82.32 -33.37 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' CYS . 17.6 ptpt -67.89 -38.98 83.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.1 m -72.84 -49.64 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.74 -167.3 18.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.94 135.06 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.34 97.94 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.21 -50.64 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.17 127.72 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.703 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.8 tp -114.7 109.38 18.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.9 tp -88.99 128.26 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.3 mtp -130.16 95.27 28.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 131.31 21.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.409 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.65 40.77 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 66.67 29.76 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 mmtp -131.54 123.0 19.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.94 9.28 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.79 2.327 . . . . 0.0 112.369 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.949 ' CD2' HD11 ' A' ' 35' ' ' ILE . 20.6 p90 -126.29 151.07 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.3 m -135.49 172.71 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.433 ' CB ' HG11 ' A' ' 123' ' ' VAL . 38.4 m-85 -132.18 128.36 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.06 151.81 31.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.554 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.0 ttp85 -125.75 113.32 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HE1' HD12 ' A' ' 45' ' ' LEU . 59.0 m-85 -84.59 178.26 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -92.89 -36.43 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -135.74 134.59 39.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.9 m -40.65 -59.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' THR . 37.9 mt-10 -33.37 -51.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.48 -60.59 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.5 t -40.77 -51.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 30.3 mtpt -58.91 -47.26 85.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -52.84 -44.09 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.67 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.56 -32.74 62.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 30.2 t80 -64.42 -37.43 87.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.71 -24.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.8 m -90.18 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 64' ' ' VAL . 37.5 mt -54.78 -53.84 49.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -45.77 123.34 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 114' ' ' THR . . . 89.0 -27.95 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 28.5 tttt -59.27 152.69 20.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.3 mt-10 -101.58 130.49 47.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 115' ' ' LEU . 24.3 m -127.19 133.19 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.0 t -71.94 115.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -75.59 178.62 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.11 -45.05 75.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.91 -29.26 69.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.4 16.43 12.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -105.98 139.1 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -79.18 117.84 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.88 144.67 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 102' ' ' GLY . 15.9 m -92.22 105.51 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 105' ' ' VAL . 11.4 mt -90.95 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.96 118.5 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.1 mp -96.02 127.02 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.1 m120 -119.32 136.65 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 36.5 m-85 -63.1 122.91 17.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.95 142.13 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -106.05 -41.22 5.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -99.99 121.41 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' TRP . 97.9 t -141.26 123.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -60.19 76.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.554 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.1 m95 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 82' ' ' TYR . 33.9 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.28 118.68 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.636 HG22 HG12 ' A' ' 120' ' ' VAL . 30.9 p -114.25 133.74 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.94 -177.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -101.67 -46.23 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -59.72 162.93 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -63.93 141.36 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.4 p -142.76 126.7 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.7 -34.28 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.8 m -88.96 153.0 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 HD21 ' CE1' ' A' ' 119' ' ' PHE . 38.9 mt -146.36 153.2 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 46' ' ' VAL . 15.0 p -117.82 121.48 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.99 118.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.87 158.1 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 53.94 26.64 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -129.55 -127.78 2.97 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 152.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.4 mt -43.52 -51.35 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.87 -34.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.7 t-20 -89.58 35.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.26 24.7 10.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 54' ' ' ASN . 89.4 t -101.97 109.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -80.0 161.53 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' HD23 ' A' ' 74' ' ' LEU . 26.4 ttm180 -65.4 -35.87 82.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 5.5 m120 -73.85 -6.09 45.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.35 -15.93 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 13.7 tp -107.4 -40.23 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.35 -42.75 97.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.5 Cg_exo -47.92 -39.23 32.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 100' ' ' LEU . 43.1 t -76.95 -24.4 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.93 -20.1 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 60.8 mt-10 -87.15 -41.86 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -58.34 -36.25 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.76 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.22 -167.02 10.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -87.07 122.88 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.431 HG21 HD12 ' A' ' 62' ' ' LEU . 67.0 t -90.83 101.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.3 -46.6 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 125.9 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD23 ' HG3' ' A' ' 58' ' ' ARG . 13.9 tp -113.37 103.67 11.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.486 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 20.8 tp -84.92 124.11 31.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 49.9 mtp -125.74 97.96 35.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 0.0 110.87 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.4 Cg_endo -69.9 135.61 30.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.64 2.227 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 141.65 45.28 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 59.37 38.63 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -136.55 123.49 14.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.75 10.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' A' ' 35' ' ' ILE . 37.4 p90 -125.47 155.29 40.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 m -138.7 177.84 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -134.57 128.72 33.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.25 143.47 47.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 22.6 ttt180 -125.16 110.25 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -78.61 175.84 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -84.33 -31.21 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.8 p -142.49 142.7 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.4 m -46.72 -55.57 7.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 12.9 mt-10 -35.25 -62.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.15 -56.47 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.06 -50.25 6.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 15.5 mtpp -58.65 -47.73 83.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -51.78 -43.72 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.96 -30.08 58.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 27.3 t80 -67.77 -36.49 80.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.34 -23.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.4 m -90.87 -59.38 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 64' ' ' VAL . 23.5 mt -60.08 -57.32 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -37.7 93.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 108.34 22.32 7.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' LEU . 5.9 ttpp -91.06 152.48 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -102.74 120.44 40.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 115' ' ' LEU . 30.8 m -131.68 136.77 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.15 112.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.625 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -76.91 175.78 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -53.26 -28.81 29.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.0 mt -70.33 -26.34 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.31 10.3 42.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.47 136.05 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -70.81 98.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 107' ' ' ASP . 2.8 mt -91.43 152.41 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.9 m -101.73 108.46 19.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 105' ' ' VAL . 16.2 mt -94.89 136.69 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.699 ' C ' HD12 ' A' ' 117' ' ' LEU . 8.4 m-85 -107.69 169.93 8.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.699 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.2 mp -143.39 126.18 16.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 6.0 m120 -119.02 143.25 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.0 m-85 -71.75 113.74 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 37' ' ' THR . 19.6 m -115.91 148.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.67 -34.55 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -109.09 120.62 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.93 126.81 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -67.15 75.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TRP . . . . . 0.536 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 m -81.61 80.15 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -134.41 143.39 47.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.04 133.76 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.0 p -126.76 152.51 46.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m 50.18 46.95 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.85 -178.87 43.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.551 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -175.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -90.22 -41.41 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' NE2' ' ND2' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -107.64 175.43 5.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' LEU . 6.2 p -90.44 -21.63 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' THR . 3.8 mp -33.45 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.7 mm? -73.08 -50.51 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.7 tpt180 -50.14 -48.01 53.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' GLU . 35.0 m170 -55.99 -70.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' HIS . 69.2 mm-40 -36.52 -38.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.03 34.74 5.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.51 HD11 ' CG ' ' A' ' 82' ' ' TYR . 61.5 mt -89.85 117.52 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -94.77 128.54 41.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 p -127.33 138.17 52.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.727 HG11 ' OH ' ' A' ' 40' ' ' TYR . 19.3 m -82.82 179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -100.24 -37.93 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.727 ' OH ' HG11 ' A' ' 38' ' ' VAL . 17.3 p90 -68.01 -178.18 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -88.59 137.73 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 55.5 p -140.37 125.57 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' THR . 55.4 mt-30 -37.17 -36.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -85.92 150.59 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 119' ' ' PHE . 34.0 mt -142.63 163.2 33.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 8.9 p -125.97 119.35 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.25 114.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.65 155.75 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.524 ' ND2' ' NE2' ' A' ' 27' ' ' HIS . 69.4 m-20 57.14 26.6 12.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.72 -126.5 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 155.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.4 mt -44.16 -50.32 8.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.58 -34.82 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.2 m-20 -88.95 33.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.27 33.34 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 54' ' ' ASN . 77.7 t -111.94 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.809 0.338 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -77.22 164.16 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG3' HD23 ' A' ' 74' ' ' LEU . 19.4 ttp180 -64.71 -41.25 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 4.1 m-20 -73.69 -2.95 25.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -108.04 -19.85 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -105.74 -39.07 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 7.2 tp -56.55 -42.77 97.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.1 Cg_exo -48.07 -36.77 29.02 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.656 2.238 . . . . 0.0 112.319 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 100' ' ' LEU . 39.3 t -80.86 -29.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 78.2 mt -78.48 -14.55 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -91.94 -45.95 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 64' ' ' VAL . 19.6 ptmt -53.62 -34.84 59.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 100' ' ' LEU . 3.7 m -81.26 -59.13 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.56 172.28 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.79 133.83 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.62 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.16 -50.08 37.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.91 127.99 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.7 tp -114.12 101.6 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 84' ' ' PHE . 18.4 tp -81.86 124.23 29.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 61.6 mtp -129.66 94.7 31.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.692 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.75 137.85 36.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.08 49.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.78 37.51 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' CE ' ' OH ' ' A' ' 82' ' ' TYR . 35.7 mmtm -134.97 121.3 14.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.69 16.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.41 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CG ' HD11 ' A' ' 35' ' ' ILE . 18.6 p90 -122.78 146.73 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 175.53 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.642 ' CG ' HG11 ' A' ' 123' ' ' VAL . 45.8 m-85 -133.08 135.84 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.66 154.31 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -130.88 110.35 11.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' HE1' HD12 ' A' ' 45' ' ' LEU . 53.4 m-85 -83.62 172.43 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -83.18 -42.67 17.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -130.27 137.5 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -41.04 -59.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.0 mt-10 -33.72 -51.91 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.64 -58.14 9.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.04 -56.67 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 36.4 mtpt -53.21 -52.03 60.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -47.4 -43.28 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.738 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.38 -31.63 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -67.42 -35.42 79.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 94' ' ' LYS . 6.6 t -89.86 -18.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -99.99 -62.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.738 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.7 mt -55.52 -48.48 74.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 45.0 t-20 -51.86 123.46 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.65 -23.62 24.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -70.08 146.89 50.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -96.07 160.28 14.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -156.18 134.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.08 126.45 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.42 -178.5 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.99 -41.84 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.7 -27.63 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.14 12.4 27.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.9 133.97 50.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -68.68 124.22 23.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.25 145.26 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 m -95.45 110.37 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 11.0 mt -100.32 147.71 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.9 m-85 -123.92 122.15 37.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.4 128.14 43.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.487 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 33.6 m-20 -119.07 146.08 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.5 m-85 -74.04 125.91 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 44' ' ' SER . 34.1 m -126.77 125.89 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.85 -43.78 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.642 HG11 ' CG ' ' A' ' 84' ' ' PHE . 95.1 t -151.63 142.62 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.49 75.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -71.73 161.88 30.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 p -93.12 43.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.5 147.13 17.39 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 108.25 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -62.66 104.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 44.7 t -68.03 129.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -91.77 -51.39 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 105.81 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.12 173.64 55.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -147.31 155.35 41.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.855 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.3 m -59.55 -55.84 29.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.89 -130.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -96.01 170.44 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -70.35 -39.83 74.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 27' ' ' HIS . 2.6 p80 -92.95 148.56 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -84.52 30.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -84.1 -22.27 31.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 25' ' ' ALA . 2.1 mm? -80.49 -38.7 29.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -57.74 -56.73 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -47.71 -56.98 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.39 -53.36 45.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.66 57.65 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.503 HD11 ' CD2' ' A' ' 82' ' ' TYR . 85.0 mt -109.28 124.67 66.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -107.72 112.16 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG12 ' A' ' 120' ' ' VAL . 33.9 p -106.84 144.03 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.41 HG21 ' CE1' ' A' ' 40' ' ' TYR . 31.4 m -83.48 -175.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -104.99 -40.81 5.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 42' ' ' THR . 23.0 p90 -68.74 168.24 13.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.44 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.563 HG22 ' CE2' ' A' ' 40' ' ' TYR . 45.8 p -133.93 133.8 41.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -49.23 -24.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -99.26 150.79 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 93' ' ' SER . 79.3 mt -143.62 141.55 30.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 46' ' ' VAL . 9.8 p -105.12 122.19 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.98 114.44 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.43 153.59 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 39.9 m-20 61.08 25.22 15.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -128.16 -128.92 3.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.77 157.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.413 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.6 mt -45.52 -52.01 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -32.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 t-20 -92.35 34.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.07 38.85 32.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 54' ' ' ASN . 58.4 t -112.83 117.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 m -88.52 153.55 21.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -58.8 -42.21 88.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t-20 -74.03 -3.0 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -108.16 -18.47 13.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 21.0 tp -107.29 -38.57 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -57.07 -42.61 97.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -48.02 -37.57 30.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.548 HG12 HD22 ' A' ' 100' ' ' LEU . 45.3 t -79.89 -24.53 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.6 mt -85.92 -14.4 44.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.12 -44.78 10.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -35.87 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 100' ' ' LEU . 7.8 m -77.18 -55.91 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.29 -178.75 25.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.55 128.99 35.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 62' ' ' LEU . 88.0 t -98.22 110.26 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.62 -51.85 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.31 129.98 16.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.34 105.52 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.506 HD23 ' CD2' ' A' ' 84' ' ' PHE . 22.7 tp -85.1 122.72 29.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 73.4 mtp -127.01 96.97 33.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.0 Cg_endo -69.83 138.77 38.37 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.84 49.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.08 41.96 31.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -136.96 122.41 13.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HG3' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.7 -4.76 14.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' HD11 ' A' ' 35' ' ' ILE . 18.8 p90 -123.46 153.05 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -140.17 177.05 8.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD2' HD23 ' A' ' 75' ' ' LEU . 49.0 m-85 -133.67 136.15 44.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.67 144.7 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.9 ttp180 -122.81 107.67 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -80.48 172.97 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -87.79 -29.18 21.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -138.99 141.77 38.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.8 m -50.48 -53.94 26.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 14.3 pt-20 -36.86 -52.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 67.4 mt-10 -57.99 -61.29 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.526 ' O ' HD11 ' A' ' 45' ' ' LEU . 2.1 t -38.53 -49.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.775 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.36 -53.29 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -47.59 -42.82 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.734 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.24 -33.33 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.582 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.4 t80 -65.36 -36.67 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.66 -20.18 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.7 m -96.48 -63.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 21.2 mt -54.49 -51.0 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 50.3 t-20 -50.18 117.69 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 114' ' ' THR . . . 95.91 -25.81 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.13 157.73 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.33 145.26 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 115' ' ' LEU . 14.8 m -141.34 138.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.95 107.35 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 3.1 p30 -65.36 -175.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.474 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 37.1 mt -61.61 -30.0 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.16 19.38 8.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.0 144.02 40.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -79.09 122.77 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -117.79 149.36 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 102' ' ' GLY . 5.7 m -100.9 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -91.67 146.28 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 50.9 m-85 -119.14 119.94 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.9 mp -98.56 127.43 44.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.458 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.5 m-20 -118.96 146.1 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.7 m-85 -73.51 117.66 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.686 HG12 HG22 ' A' ' 37' ' ' THR . 23.7 m -125.15 148.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.37 -37.78 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -102.66 132.75 48.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 69.5 t -157.49 136.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.25 68.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.411 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.1 m95 -56.61 -59.99 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 t -175.02 137.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.75 143.81 4.51 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' SER . 53.5 Cg_endo -69.72 -13.52 34.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' PRO . 32.9 m -37.89 99.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -170.5 153.23 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.524 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m -90.21 123.32 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 p -50.39 -53.47 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.61 128.79 9.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -174.44 180.0 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.835 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.457 ' O ' ' ND2' ' A' ' 118' ' ' ASN . 66.0 m -63.68 175.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.17 -161.19 15.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . . . -76.69 164.7 25.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -108.89 1.31 20.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.613 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -65.2 140.97 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.7 p -67.34 -16.95 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 6.1 mp -47.42 -27.96 1.91 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HG ' ' CE1' ' A' ' 27' ' ' HIS . 18.8 mt -73.16 -62.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' HIS . 62.8 ttp85 -42.18 -68.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' ARG . 25.7 m170 -36.04 -54.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.88 -57.49 12.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.5 56.65 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.762 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.1 mt -106.05 124.36 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -113.66 124.2 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.643 HG22 ' CG1' ' A' ' 120' ' ' VAL . 42.1 p -119.12 148.83 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 40' ' ' TYR . 24.5 m -86.88 -179.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -100.96 -44.14 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.595 ' CE1' HG21 ' A' ' 38' ' ' VAL . 20.6 p90 -61.39 158.97 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HD2' ' A' ' 94' ' ' LYS . . . -65.13 133.82 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -135.97 142.32 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.81 -32.39 65.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.401 ' CB ' HG23 ' A' ' 120' ' ' VAL . 62.4 m -88.93 143.89 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.0 mt -139.55 141.2 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 46' ' ' VAL . 12.0 p -107.36 123.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.15 115.35 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.46 147.35 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.2 m-20 66.13 26.68 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -129.67 -125.58 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.7 155.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.96 -48.79 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.39 -36.94 2.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.9 m-20 -86.26 33.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.8 15.82 3.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 54' ' ' ASN . 53.3 t -93.58 107.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.9 p -79.86 162.0 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.47 -40.84 98.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.8 t-20 -73.41 -4.43 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -108.24 -18.97 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.6 tp -105.27 -39.59 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.41 -42.99 99.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.3 Cg_exo -47.95 -40.42 32.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.517 HG12 HD22 ' A' ' 100' ' ' LEU . 37.9 t -76.25 -30.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 100' ' ' LEU . 50.5 mt -80.55 -12.45 59.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.08 -46.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -54.02 -31.78 52.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.6 m -81.11 -61.33 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.44 -167.31 10.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 mt -87.52 124.18 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.96 97.76 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.36 -45.64 62.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.8 131.48 13.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 tp -120.46 103.74 9.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 84' ' ' PHE . 29.4 tp -82.6 125.26 30.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.8 mtp -128.16 96.08 32.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 136.25 32.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.755 2.303 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 141.17 44.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 58.12 41.99 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 30.9 mmtp -139.79 121.34 9.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.878 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.69 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.762 ' CD2' HD11 ' A' ' 35' ' ' ILE . 24.7 p90 -127.56 144.4 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.7 m -129.79 177.88 6.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.7 m-85 -135.68 129.1 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.1 153.87 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 13.2 ttp85 -130.92 103.74 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 44.8 m-85 -75.43 178.22 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.0 p -139.2 138.14 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.4 m -39.48 -59.04 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' THR . 51.3 mt-10 -33.95 -64.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -47.13 -57.38 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.7 t -43.27 -58.05 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 16.8 mtpp -51.84 -50.36 61.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -48.01 -44.13 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.744 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.39 -34.22 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 17.9 t80 -64.51 -36.89 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.8 t -89.86 -23.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.5 m -91.86 -60.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.744 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 25.6 mt -57.84 -55.03 40.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -44.64 107.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.06 16.55 35.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -96.99 153.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.29 132.88 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.98 134.56 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.8 t -76.61 107.97 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.43 175.54 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.33 -41.02 50.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -61.11 -29.37 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.63 9.61 30.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -100.37 144.31 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -84.45 98.81 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 114' ' ' THR . 13.1 mt -92.06 159.87 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 113' ' ' ILE . 11.4 m -109.92 97.9 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 16.2 mt -85.56 139.66 31.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 24.5 m-85 -107.66 170.54 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.0 mp -142.92 126.61 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.632 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.2 m-20 -118.99 137.36 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 39.1 m-85 -67.19 117.0 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' A' ' 37' ' ' THR . 2.7 m -118.63 153.54 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.22 -34.94 3.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -113.59 116.26 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.74 132.57 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.63 73.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.2 m95 -66.86 158.85 29.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.5 p -83.78 -45.74 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.75 173.95 52.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 118.44 5.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.0 m -126.83 132.9 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.0 p -159.8 132.03 6.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 m -155.29 127.0 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -99.05 169.57 9.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.42 -125.45 0.8 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -92.93 107.49 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -48.87 -60.09 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.83 -157.69 8.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.0 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -104.5 -24.99 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.65 174.52 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.6 m -95.9 -32.2 12.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' THR . 5.5 mp -35.39 -37.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.82 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -43.92 -53.73 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -43.73 -62.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -46.25 -42.29 14.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.71 50.65 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 82' ' ' TYR . 96.0 mt -104.72 132.21 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -108.2 110.26 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 120' ' ' VAL . 24.8 p -114.82 138.57 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CE1' ' A' ' 40' ' ' TYR . 34.7 m -83.5 175.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -91.79 -45.56 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 38' ' ' VAL . 13.0 p90 -66.1 172.15 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.51 148.51 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 p -146.05 127.13 14.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -39.8 -32.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 120' ' ' VAL . 66.1 m -93.82 158.69 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD12 ' CE1' ' A' ' 87' ' ' TYR . 33.6 mt -149.19 158.88 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 10.7 p -124.0 121.33 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.07 117.3 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.93 163.05 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 28.4 m-20 50.16 26.12 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.79 -127.76 3.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 155.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.561 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.5 mt -43.98 -52.71 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.54 -30.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.6 m-20 -91.71 32.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.63 29.18 31.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -106.03 110.67 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -79.94 162.97 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' HD23 ' A' ' 74' ' ' LEU . 24.8 ttm180 -68.85 -38.73 79.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.3 t-20 -73.1 -6.98 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -108.31 -19.21 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 20.1 tp -102.09 -40.59 6.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.0 tp -56.65 -42.65 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.954 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -48.01 -47.76 18.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 HD22 ' A' ' 100' ' ' LEU . 42.5 t -67.77 -27.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 62' ' ' LEU . 15.7 mt -83.58 -15.45 49.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.64 -47.01 9.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -37.59 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' HD21 ' A' ' 100' ' ' LEU . 9.8 m -73.93 -57.71 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.01 -169.09 14.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 122.46 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -90.7 104.11 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.47 -34.68 54.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.31 129.09 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.6 tp -121.2 105.11 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.1 tp -89.38 126.32 35.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.4 mtp -127.39 98.14 29.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.04 29.5 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 143.17 49.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 60.73 32.19 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 20.7 mmtm -131.98 122.14 18.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 22.9 p90 -127.05 148.45 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.2 m -130.58 -179.98 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -133.74 129.76 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.14 145.83 41.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -126.24 114.7 18.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE1' HD12 ' A' ' 45' ' ' LEU . 71.7 m-85 -91.63 168.31 11.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -79.49 -35.37 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p -137.29 148.07 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' GLU . 6.1 m -52.89 -57.63 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.9 mt-10 -34.12 -53.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.75 -56.01 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -43.85 -52.63 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 98' ' ' VAL . 28.3 mtpt -56.07 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -50.61 -42.69 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.46 -31.01 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 17.3 t80 -68.61 -37.67 79.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 94' ' ' LYS . 11.3 t -89.87 -21.55 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.3 m -92.15 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 HG12 ' A' ' 64' ' ' VAL . 27.0 mt -55.8 -54.12 48.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 37.8 t-20 -41.63 110.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.42 35.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.7 0.286 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -98.8 120.41 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.98 130.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 t -69.06 114.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.64 -175.19 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.06 -42.33 85.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.47 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.67 13.63 18.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.53 144.45 32.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -81.33 102.85 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.12 152.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.7 m -103.48 93.18 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 14.4 mt -81.21 141.79 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.79 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 m-85 -108.48 170.91 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.44 126.27 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.483 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 17.0 m-80 -119.32 144.23 46.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CE1' HD21 ' A' ' 45' ' ' LEU . 34.4 m-85 -75.33 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' SER . 33.4 m -123.91 125.46 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.45 -40.43 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.8 ptmm? -139.09 168.01 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' LYS . 78.2 t -160.53 143.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.09 70.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 123' ' ' VAL . 83.7 m95 -67.96 161.42 26.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.53 115.12 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.64 145.92 14.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -21.68 33.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.3 p 42.19 42.86 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -92.8 -46.89 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -105.69 108.45 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.5 p -117.71 173.75 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 45.86 85.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.8 p -133.04 145.91 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -143.7 148.28 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.26 -160.64 9.74 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.03 171.62 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -64.8 -16.62 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -125.08 160.71 28.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.788 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' HG22 ' A' ' 28' ' ' THR . 3.9 m -98.4 31.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.6 tt -89.31 -28.25 19.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.4 mm? -70.7 -43.69 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -58.36 -51.4 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.19 -48.68 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -63.52 -55.72 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.52 62.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.1 mt -114.29 127.05 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.18 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -98.26 121.37 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -124.42 133.94 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.28 -176.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -99.74 -48.88 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -60.0 169.31 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.52 138.89 43.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.7 p -138.33 130.01 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -42.73 -32.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB2' HG23 ' A' ' 120' ' ' VAL . 68.0 m -88.86 153.53 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD11 ' OG ' ' A' ' 93' ' ' SER . 51.1 mt -146.65 144.39 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 46' ' ' VAL . 13.7 p -109.6 122.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.72 112.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -88.46 159.41 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 54.27 25.51 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.81 -126.86 2.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 157.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . 24.1 mt -45.42 -53.11 9.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.46 -32.85 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -90.7 34.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.91 21.44 3.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 18.4 t -96.49 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 111.094 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -79.59 154.67 28.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -58.05 -42.98 86.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 9.9 t-20 -73.05 -3.2 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -108.09 -22.07 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.6 tp -102.5 -39.56 7.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.35 -42.93 98.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.97 -36.78 28.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.48 HG12 HD22 ' A' ' 100' ' ' LEU . 33.6 t -81.2 -27.99 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.4 mt -81.59 -20.66 39.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 62' ' ' LEU . 6.8 mm-40 -87.36 -45.64 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HE3' HG13 ' A' ' 64' ' ' VAL . 10.6 pttp -52.02 -38.69 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.17 -56.15 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.02 -168.07 13.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.51 134.99 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.38 109.92 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.36 -52.17 10.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.04 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.66 99.33 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 21.1 tp -79.88 124.12 28.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 78.9 mtp -129.13 96.83 27.59 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.546 0.689 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.73 140.38 42.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.38 62.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 t30 51.94 37.76 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -133.92 121.25 15.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.6 p90 -123.07 154.44 38.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.7 m -137.71 -179.45 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.479 ' CG ' HG11 ' A' ' 123' ' ' VAL . 64.9 m-85 -141.54 118.63 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.26 151.17 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.2 ttt180 -127.6 114.69 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 45' ' ' LEU . 58.4 m-85 -87.93 177.81 6.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -89.01 -46.62 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 60.1 p -125.58 126.61 45.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.587 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -33.67 -52.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.0 mt-10 -37.58 -54.17 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.92 -55.18 35.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.507 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.4 t -47.24 -52.63 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 90' ' ' THR . 21.2 mtmt -56.4 -50.53 71.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -48.37 -41.62 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -78.89 -34.5 44.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.701 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.3 t80 -64.19 -36.52 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t -89.5 -19.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -99.11 -64.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.791 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -54.07 -48.21 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.5 t-20 -51.69 122.21 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.92 -17.69 55.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -74.26 154.56 38.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -104.94 151.52 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.01 145.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.64 112.15 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -75.89 -177.29 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.13 -39.06 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.02 -28.69 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.52 16.49 20.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -110.25 149.47 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -81.5 115.07 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.84 143.7 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.3 m -94.45 113.35 25.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.6 142.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.407 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.3 m-85 -118.75 120.59 37.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.48 128.27 43.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.489 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 15.6 m-80 -119.73 145.59 46.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 27.8 m-85 -74.72 119.64 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 44' ' ' SER . 27.0 m -115.48 130.92 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.85 -41.05 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -134.22 157.68 45.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 125' ' ' TRP . 97.8 t -156.8 130.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.08 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.542 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 95.4 m95 -69.71 179.7 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -117.22 111.6 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.71 143.58 18.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 127.43 14.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -104.44 166.04 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.5 t -138.52 155.65 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -45.0 -44.79 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 t -130.31 -45.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.91 102.6 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.9 m -89.61 100.0 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m 43.88 41.82 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.01 -119.93 2.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.01 -176.33 4.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 116' ' ' TYR . 0.2 OUTLIER -67.33 -37.96 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' CD2' ' A' ' 30' ' ' LEU . 2.0 p80 -123.34 172.72 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' LEU . 16.5 p -77.0 -28.19 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' THR . 2.5 mt -33.92 -38.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 3.8 mm? -66.74 -64.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -41.86 -57.72 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' GLU . 45.2 m-70 -46.17 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' HIS . 69.6 mm-40 -34.54 -43.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.44 42.76 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 82' ' ' TYR . 65.2 mt -92.83 114.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.43 120.24 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 120' ' ' VAL . 15.0 p -121.67 134.31 54.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 40' ' ' TYR . 26.7 m -78.53 -175.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t -104.27 -42.75 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.632 ' CE1' HG21 ' A' ' 38' ' ' VAL . 9.7 p90 -63.73 174.39 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 133.52 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.5 p -131.83 146.73 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -62.06 -18.2 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -105.26 152.03 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 119' ' ' PHE . 42.5 mt -142.01 162.9 34.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.2 p -126.08 120.34 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.31 116.93 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.7 160.7 15.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.88 24.97 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . -125.9 -126.38 2.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 153.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -42.83 -49.66 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.87 -35.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 3.8 m120 -85.99 27.83 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 58.32 17.28 31.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.0 t -96.81 103.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -74.86 165.18 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -68.7 -39.49 80.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.93 -4.59 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 30.4 tp60 -108.23 -16.94 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.8 tp -107.74 -39.55 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.8 tp -56.43 -42.84 98.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.0 Cg_exo -48.07 -38.13 31.56 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 t -79.82 -27.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 100' ' ' LEU . 37.1 mt -79.34 -16.74 55.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -89.84 -46.54 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.65 -32.62 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 m -83.64 -53.85 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.82 166.58 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.97 130.51 43.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.3 t -99.01 105.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.22 -51.63 29.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.98 127.35 9.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 tp -115.19 109.31 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 84' ' ' PHE . 18.2 tp -89.29 126.38 35.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.4 mtp -129.02 96.96 27.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.542 0.686 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.78 134.48 28.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 141.67 45.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.26 35.11 18.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 37.5 mmtt -134.96 123.77 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.9 Cg_endo -69.67 -6.75 19.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 35' ' ' ILE . 28.9 p90 -120.29 152.74 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -139.32 177.19 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.563 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.4 m-85 -133.5 138.06 45.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.78 145.07 49.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.513 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.9 ttt85 -123.47 108.63 12.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -80.25 164.53 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.34 -28.22 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -136.74 134.78 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 m -47.64 -50.13 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 15.4 pt-20 -42.93 -44.18 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 86.2 mt-10 -64.42 -56.01 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 t -43.89 -51.77 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -58.75 -50.98 71.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.407 HH11 ' CB ' ' A' ' 95' ' ' ARG . 3.5 ttm105 -49.8 -46.3 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.6 -34.14 69.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 28.5 t80 -63.32 -37.6 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.04 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.8 m -93.75 -62.07 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.6 mt -57.16 -49.81 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 49.9 t-20 -51.43 125.98 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.65 -12.74 58.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -72.94 157.43 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.06 136.69 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 115' ' ' LEU . 26.8 m -134.75 146.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 110' ' ' GLY . 30.9 t -88.22 109.0 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.06 -179.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.36 -36.89 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.85 -30.68 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.462 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 104.5 15.99 19.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -106.11 150.84 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -83.56 116.86 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.11 140.05 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.5 m -94.24 109.75 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 105' ' ' VAL . 11.1 mt -94.72 140.38 29.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 48.3 m-85 -113.94 117.39 31.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 100' ' ' LEU . 6.9 mp -96.06 127.1 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m120 -118.97 153.56 34.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 40.2 m-85 -80.45 121.94 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 HG22 ' A' ' 37' ' ' THR . 11.1 m -121.62 156.58 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 9.9 pt-20 -120.61 -32.39 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.53 121.17 43.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -144.54 125.1 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.22 72.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.5 m95 -64.59 135.21 55.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -104.1 111.56 24.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 144.13 166.54 11.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 93.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.2 m -106.63 107.52 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 m 52.01 42.39 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m 45.19 42.32 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -99.74 110.79 23.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' SER . . . 156.52 -126.99 1.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' GLY . 79.3 p 34.61 42.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.826 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -99.33 41.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -95.43 146.37 18.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -36.2 138.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -90.44 8.92 31.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.75 170.35 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.556 ' O ' HG22 ' A' ' 28' ' ' THR . 10.6 m -110.18 29.28 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -85.06 -26.2 27.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.8 mm? -67.9 -48.58 65.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.1 tpt180 -53.53 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 31' ' ' ARG . 20.0 m170 -35.2 -44.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.57 -45.04 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . 93.14 61.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' CD2' ' A' ' 82' ' ' TYR . 74.3 mt -106.34 130.21 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -102.06 122.83 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.9 p -122.12 144.08 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 42' ' ' THR . 29.3 m -90.53 -179.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.5 t -103.09 -41.98 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 22.8 p90 -68.68 166.52 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -66.8 139.74 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 38' ' ' VAL . 72.2 p -141.16 129.61 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -46.85 -28.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -96.15 147.77 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 87' ' ' TYR . 47.5 mt -139.17 156.55 47.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.4 p -120.85 118.28 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.16 118.07 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.49 165.13 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.515 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 93.5 m-20 48.25 26.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.07 -126.8 2.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.573 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.78 156.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.8 mt -44.0 -51.14 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.05 -34.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.515 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.0 m-20 -88.42 32.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.77 23.33 14.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.1 103.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -74.25 167.68 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' HD23 ' A' ' 74' ' ' LEU . 35.3 ttm180 -69.13 -41.42 77.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t30 -74.13 -2.96 26.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -108.17 -17.87 13.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 27.0 tp -108.21 -38.67 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.9 tp -56.8 -42.68 97.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.975 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.92 -37.34 29.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 100' ' ' LEU . 47.5 t -78.62 -29.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.0 mt -80.41 -24.68 39.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -79.39 -47.14 16.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.558 ' HE2' HG13 ' A' ' 64' ' ' VAL . 17.1 pttt -53.37 -39.47 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 m -77.26 -56.74 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.8 172.84 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.9 116.39 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG21 HD12 ' A' ' 62' ' ' LEU . 92.4 t -84.6 104.74 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.54 -34.38 47.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.64 122.89 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.3 tp -116.4 101.61 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 84' ' ' PHE . 24.8 tp -84.74 124.99 32.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 69.3 mtp -126.92 98.52 30.56 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.83 134.99 29.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 141.65 45.61 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.66 40.6 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 31.1 mmtp -138.55 123.97 12.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.84 -1.93 9.38 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.5 p90 -127.05 152.84 46.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -138.56 176.8 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 75' ' ' LEU . 51.8 m-85 -132.38 133.4 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.02 156.26 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 8.7 ttp180 -134.95 118.32 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.453 ' CE1' HD12 ' A' ' 45' ' ' LEU . 56.2 m-85 -91.34 171.6 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -84.49 -26.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -140.64 146.68 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -57.18 -54.86 41.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 17.2 pt-20 -38.42 -48.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 7.0 mm-40 -61.89 -56.56 18.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -43.3 -50.15 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -58.65 -48.18 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -49.59 -40.38 38.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.86 -33.58 52.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.7 t80 -64.88 -37.42 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 t -88.0 -19.8 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.163 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.2 m -98.6 -62.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.835 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 31.9 mt -54.41 -48.49 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.0 t-20 -54.61 119.44 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.2 -8.44 77.6 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -79.88 149.54 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.21 146.3 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.32 138.05 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.482 HG23 ' CE ' ' A' ' 112' ' ' LYS . 23.8 t -78.34 111.3 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 5.5 p30 -67.42 -176.46 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -38.17 83.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.442 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 27.3 mt -65.57 -30.84 71.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 111.65 15.25 10.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -105.3 146.95 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.482 ' CE ' HG23 ' A' ' 106' ' ' VAL . 21.4 mmtp -84.77 125.44 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -118.21 147.4 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.6 m -98.82 102.35 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -88.47 150.51 23.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.4 m-85 -125.6 117.84 24.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.444 ' O ' ' ND2' ' A' ' 101' ' ' ASN . 7.2 mp -96.05 125.56 40.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.97 141.78 48.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.497 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 25.9 m-85 -67.7 125.88 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 144.3 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -107.3 -32.71 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -110.56 129.2 55.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' TRP . 58.2 t -151.96 121.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -60.65 77.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.579 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.7 m95 -68.03 156.58 37.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.5 m -94.58 175.9 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.93 12.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -1.96 9.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.745 2.297 . . . . 0.0 112.347 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -46.61 153.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.4 p -45.91 129.98 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.1 t -35.24 131.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 t -171.79 144.12 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' SER . . . -179.34 -71.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLY . 19.0 m 37.49 51.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -86.43 -60.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.72 -176.01 14.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' HB1' ' ND1' ' A' ' 27' ' ' HIS . . . -71.53 -73.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ALA . 8.5 tptm 36.17 52.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.533 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 2.8 p-80 -83.73 160.96 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' LEU . 65.2 m -37.83 -48.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 6.8 tt -34.26 -57.14 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 30' ' ' LEU . 3.9 mm? -57.75 -66.02 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' HIS . 75.1 ttt180 -50.26 -67.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' ARG . 1.9 t-80 -35.69 -66.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -42.91 -57.2 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.41 53.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' A' ' 82' ' ' TYR . 97.6 mt -106.38 131.67 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -112.12 121.47 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.584 HG21 ' HB3' ' A' ' 118' ' ' ASN . 27.0 p -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.93 -179.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -98.01 -46.78 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' A' ' 42' ' ' THR . 25.5 p90 -64.46 171.64 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 124.63 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 20.6 p -114.02 154.07 28.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.58 -16.39 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -111.34 154.65 24.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HE2' ' A' ' 87' ' ' TYR . 83.6 mt -138.44 160.36 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.3 p -123.5 117.49 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.06 121.31 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.44 161.73 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.475 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 90.0 m-20 49.82 25.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -124.4 -127.21 3.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.15 153.17 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.41 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.3 mt -43.45 -49.98 7.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.05 -36.32 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.5 m-20 -84.47 28.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 56.71 22.1 38.77 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.27 106.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.2 m -79.19 155.76 28.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HG3' HD23 ' A' ' 74' ' ' LEU . 7.9 ttp-105 -59.43 -42.18 91.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t30 -71.16 -2.97 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -108.09 -26.46 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.0 tp -97.39 -39.82 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.2 tp -56.24 -43.02 99.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.91 -35.21 24.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.577 HG12 HD22 ' A' ' 100' ' ' LEU . 39.7 t -81.03 -28.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 100' ' ' LEU . 44.6 mt -80.08 -19.85 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.21 -47.1 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -38.03 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.7 m -71.65 -61.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.86 -176.71 23.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.51 125.91 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.0 t -94.99 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.46 -54.71 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.66 126.32 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 58' ' ' ARG . 17.2 tp -111.12 100.49 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 25.8 tp -80.97 120.87 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -124.01 96.72 41.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.5 Cg_endo -69.64 134.41 28.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.412 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.52 45.47 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 62.06 34.04 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 29.1 mmtt -132.47 124.1 18.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.504 ' HG2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.81 -4.3 13.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 35' ' ' ILE . 19.5 p90 -125.13 159.32 31.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -140.81 177.72 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -135.21 122.88 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.12 141.79 42.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.537 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 21.5 ttp180 -118.27 114.48 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.548 ' HE2' HD12 ' A' ' 45' ' ' LEU . 45.9 m-85 -88.95 154.97 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.66 -36.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.4 p -136.64 132.2 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.8 m -38.69 -53.13 1.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 90' ' ' THR . 4.6 mt-10 -34.38 -55.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.7 -56.59 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.453 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 40.6 t -43.31 -52.71 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -57.18 -50.6 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -51.94 -41.48 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.692 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.57 -32.75 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 22.8 t80 -66.29 -37.9 86.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.1 t -90.03 -18.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.0 m -97.25 -63.35 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.692 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -56.13 -49.32 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.8 t-20 -52.37 122.53 8.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.43 1.27 89.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -83.63 150.41 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -93.87 130.14 40.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.33 134.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 82.3 t -77.34 123.69 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.49 -174.92 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -53.56 -43.8 68.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.93 -28.94 69.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.59 6.8 40.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -93.06 151.33 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.67 108.59 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 mt -103.81 148.6 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.4 m -102.74 99.44 9.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.95 141.48 31.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -113.94 119.58 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 100' ' ' LEU . 8.3 mp -96.14 129.18 43.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 37' ' ' THR . 34.4 m-20 -121.32 149.03 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 45' ' ' LEU . 36.0 m-85 -75.77 114.6 14.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.0 m -117.08 138.39 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 6.8 pt-20 -103.72 -36.27 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 121' ' ' GLU . 28.6 mmtp -107.69 117.79 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.42 ' HB ' ' NE1' ' A' ' 125' ' ' TRP . 89.3 t -139.7 133.77 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 70.71 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.7 m95 -65.84 169.71 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.4 t -151.6 146.38 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.42 146.18 6.65 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -41.73 3.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.7 m -74.36 163.44 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.5 t -133.58 -60.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.7 m 50.4 41.85 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 p -132.28 125.45 31.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.757 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.73 179.94 16.73 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -65.65 130.37 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.91 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -89.57 80.22 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.7 -136.3 4.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' NE2' ' A' ' 27' ' ' HIS . . . -68.85 169.63 11.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -118.95 18.01 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.688 ' NE2' ' HB1' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -119.6 135.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 30' ' ' LEU . 58.6 p -48.96 -24.11 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.7 tp -34.53 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.7 mm? -79.5 -67.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -55.18 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -48.56 -61.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -49.75 -49.88 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.52 42.16 1.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -93.44 124.79 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.46 121.01 41.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 118' ' ' ASN . 35.0 p -117.55 131.88 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.7 m -79.35 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -88.62 -42.01 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 51.7 p90 -65.69 157.32 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.47 141.17 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.47 HG21 HG21 ' A' ' 38' ' ' VAL . 57.6 p -142.65 137.08 29.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -51.15 -39.54 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -83.42 154.21 24.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -145.95 155.76 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.3 p -117.47 121.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.87 112.74 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.89 160.73 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.514 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 76.8 m-20 50.83 30.15 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -130.18 -127.27 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.51 155.53 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.401 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -43.19 -51.15 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.386 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.17 -35.15 1.03 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.9 m-20 -88.08 34.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.58 28.66 10.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 38.3 t -105.11 105.0 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -77.71 156.89 30.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' HD23 ' A' ' 74' ' ' LEU . 27.8 ttt180 -59.54 -41.17 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t-20 -74.12 -4.04 33.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -108.19 -16.34 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 30.6 tp -108.98 -39.42 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.38 -42.83 98.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.06 -40.52 33.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 HD22 ' A' ' 100' ' ' LEU . 33.0 t -76.91 -27.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 62' ' ' LEU . 12.0 mt -82.18 -15.89 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.74 -40.62 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -58.1 -34.64 70.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' HD21 ' A' ' 100' ' ' LEU . 2.9 m -75.08 -50.45 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.49 -155.17 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.6 129.92 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.57 109.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.52 -46.02 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.56 130.05 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 ' HG3' ' A' ' 58' ' ' ARG . 27.1 tp -116.09 107.18 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 21.0 tp -87.58 123.24 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -126.25 95.28 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.677 . . . . 0.0 110.925 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.75 136.5 33.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.62 48.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 58.78 37.01 25.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -135.11 120.97 14.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.529 0.681 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.25 6.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.49 151.53 49.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -136.13 173.77 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.477 ' CB ' HG11 ' A' ' 123' ' ' VAL . 45.2 m-85 -132.54 121.66 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.44 148.95 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.5 ttt180 -123.85 117.01 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -89.79 159.66 16.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD3' ' CG2' ' A' ' 89' ' ' THR . 3.9 tmt_? -73.34 -38.95 65.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' ' HD3' ' A' ' 88' ' ' ARG . 11.0 p -131.21 139.45 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -46.01 -54.46 8.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.91 -57.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.1 -56.75 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -45.91 -58.37 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.09 -50.25 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -48.33 -46.83 36.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.02 -32.95 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.672 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 19.8 t80 -65.92 -39.57 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -90.16 -16.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m -97.18 -60.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 64' ' ' VAL . 35.5 mt -60.02 -53.4 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.1 t-20 -44.56 125.31 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.0 -31.1 6.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -62.83 155.78 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -102.83 137.84 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 115' ' ' LEU . 8.6 m -127.88 130.49 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.32 105.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.84 -178.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.1 -38.96 84.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.2 -20.99 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.84 20.22 22.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -108.5 145.87 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -80.77 110.89 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.8 mt -106.32 147.15 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 m -99.81 106.76 18.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 105' ' ' VAL . 13.7 mt -96.43 137.14 35.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -113.39 122.97 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.437 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.4 mp -97.19 129.15 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.497 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -120.82 143.46 48.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 34.5 m-85 -72.23 126.59 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.34 164.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.08 -37.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -107.7 119.36 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.2 t -146.01 129.26 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.63 76.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.507 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.2 m95 -68.75 179.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 t -87.51 91.07 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -158.2 34.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.47 16.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.6 t -153.68 126.89 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.1 m -106.39 163.45 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.7 t -59.02 139.08 57.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 m -122.63 99.36 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.41 153.14 5.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -153.91 127.32 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -63.42 157.45 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.68 -163.37 35.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.693 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -68.67 175.74 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -67.93 -34.82 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.628 ' CE1' HD21 ' A' ' 30' ' ' LEU . 2.1 p80 -108.73 -179.81 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -106.45 32.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -93.87 -28.46 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 25' ' ' ALA . 2.9 mm? -70.96 -48.08 55.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -56.12 -43.28 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -54.15 -29.97 47.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -84.92 -52.44 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.58 39.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.1 mt -91.42 123.58 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.9 106.25 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 120' ' ' VAL . 61.6 p -100.47 144.06 29.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.3 m -86.09 172.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -90.65 -49.56 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' OH ' HG11 ' A' ' 38' ' ' VAL . 13.5 p90 -59.84 162.47 5.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -77.58 126.76 31.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -120.16 164.04 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -72.02 -23.7 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 120' ' ' VAL . 0.8 OUTLIER -100.78 147.13 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 87' ' ' TYR . 38.4 mt -135.75 161.69 34.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 46' ' ' VAL . 9.9 p -126.42 121.47 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.35 115.44 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.6 151.9 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 60.96 25.96 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.61 -126.1 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.4 156.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -43.77 -51.39 7.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.87 -32.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.4 m-20 -91.65 34.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.37 29.14 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.31 106.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -79.85 161.37 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' HD23 ' A' ' 74' ' ' LEU . 33.5 ttm180 -64.45 -40.07 95.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 48.8 m-20 -73.94 -3.82 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -108.18 -18.03 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 19.5 tp -107.13 -39.05 5.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.83 -42.59 97.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.4 Cg_exo -47.97 -38.39 31.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.75 2.3 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 HD22 ' A' ' 100' ' ' LEU . 45.5 t -79.73 -32.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 100' ' ' LEU . 34.8 mt -77.21 -13.06 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.23 -42.38 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -59.14 -38.66 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' A' ' 100' ' ' LEU . 8.1 m -71.31 -45.55 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.8 -160.05 10.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.21 125.94 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.54 106.46 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.72 -48.46 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.64 125.7 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.1 tp -115.83 103.79 11.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.85 127.61 34.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 63.8 mtp -130.13 96.54 25.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.8 Cg_endo -69.73 137.17 34.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 146.01 59.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.63 33.47 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -132.29 120.43 17.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.89 0.42 5.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -126.05 149.19 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -131.49 178.82 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 46' ' ' VAL . 66.0 m-85 -138.14 126.31 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.93 149.52 33.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -126.72 102.03 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' HD12 ' A' ' 45' ' ' LEU . 53.9 m-85 -76.21 157.41 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.446 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.3 -37.39 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.446 HG22 ' HD3' ' A' ' 88' ' ' ARG . 6.3 p -133.8 143.35 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -49.02 -53.23 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -38.68 -64.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.89 -56.41 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 t -42.46 -56.69 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 38.4 mtpt -53.35 -50.27 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -47.09 -40.73 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.747 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.02 -35.63 42.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.4 t80 -62.7 -35.29 79.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -90.01 -20.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -97.63 -63.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.747 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 20.2 mt -54.09 -44.64 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 42.9 t-20 -56.33 113.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.08 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -78.55 157.75 28.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -106.01 134.04 49.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 105' ' ' VAL . 5.1 m -132.02 125.52 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.49 109.18 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -178.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -42.43 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -25.32 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.96 14.66 24.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -106.56 142.29 36.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -82.18 125.83 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.3 mt -122.14 143.27 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.3 m -91.88 111.14 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.32 135.66 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.409 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 m-85 -110.38 125.59 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.6 mp -99.28 129.1 45.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.585 ' HB3' HG21 ' A' ' 37' ' ' THR . 9.1 m120 -121.18 140.68 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.4 m-85 -69.5 122.95 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 37' ' ' THR . 24.0 m -126.7 146.46 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.44 -38.34 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -107.91 125.66 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 96.4 t -141.68 144.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.31 66.21 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.47 139.54 57.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.2 t -118.05 -63.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.88 -157.72 21.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -47.28 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.283 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -174.48 117.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.1 m -75.08 90.68 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.544 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -63.0 -55.86 22.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -40.65 145.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.93 168.01 38.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 m -87.49 111.53 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.4 p -104.12 177.7 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.764 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.42 177.53 19.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -179.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -96.85 -7.59 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.38 132.23 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -50.41 -28.01 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.88 -38.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 -45.45 47.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -46.01 -55.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' GLU . 35.2 m80 -52.01 -64.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' HIS . 11.1 mm-40 -36.46 -37.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.11 45.71 4.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.3 mt -101.82 120.6 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -100.28 127.37 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 118' ' ' ASN . 6.6 p -123.46 144.24 49.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.9 179.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -98.95 -46.92 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -62.25 159.31 15.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 136.93 56.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.9 p -132.78 136.3 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -51.55 -28.66 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 86' ' ' ARG . 7.2 m -97.43 161.36 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -147.31 166.11 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.9 p -129.86 115.66 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.71 122.71 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.54 163.68 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 47.74 27.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.01 -129.85 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.37 156.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 55' ' ' GLY . 18.3 mt -44.95 -52.54 8.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.899 0.38 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.0 0.33 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.9 t-20 -91.66 36.54 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 47.64 32.85 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ASN . 40.7 t -107.65 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -78.61 158.11 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.623 ' HG3' HD23 ' A' ' 74' ' ' LEU . 23.9 ttp85 -63.5 -39.54 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.6 m-20 -74.46 -5.2 41.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -108.15 -15.0 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.0 tp -109.43 -40.02 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.0 tp -55.92 -43.09 99.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.6 Cg_exo -47.94 -43.0 30.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.571 HG12 HD22 ' A' ' 100' ' ' LEU . 27.9 t -71.61 -28.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.4 mt -81.51 -19.28 42.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.2 -47.39 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -34.72 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.468 ' SG ' HD21 ' A' ' 100' ' ' LEU . 5.3 m -78.64 -50.01 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.89 -175.92 28.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 47.7 mt -76.97 134.08 38.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -105.88 109.45 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.35 -51.91 10.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 127.52 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.0 tp -111.55 108.4 17.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 24.9 tp -85.21 127.23 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 mtp -130.04 94.8 30.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.6 30.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.758 2.305 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.83 46.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 59.63 37.43 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HZ2' ' HG3' ' A' ' 80' ' ' LYS . 24.1 mmtp -135.69 121.07 13.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.0 Cg_endo -69.83 0.73 5.27 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CD2' HD11 ' A' ' 35' ' ' ILE . 11.4 p90 -130.77 147.98 52.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.0 m -131.08 176.09 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 46' ' ' VAL . 58.3 m-85 -134.08 125.21 27.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.73 150.08 28.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt85 -125.94 102.95 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -76.29 156.13 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -74.16 -30.13 62.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -137.21 144.13 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 m -52.74 -59.36 4.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 39.9 mt-10 -34.44 -60.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' OE1' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -50.31 -54.53 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -46.07 -59.64 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -50.69 -51.63 47.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -47.27 -42.17 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.08 -33.17 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.8 t80 -65.29 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.57 -17.88 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.0 m -100.85 -62.81 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.86 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 29.1 mt -53.88 -49.01 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 116' ' ' TYR . 54.2 t-20 -54.25 109.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.07 -19.76 42.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.97 148.19 47.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -91.36 142.55 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 115' ' ' LEU . 4.8 m -139.46 138.32 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.74 116.34 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -74.16 177.27 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.63 -31.35 64.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.0 -30.26 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.81 20.98 8.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.11 150.95 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -81.55 125.53 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.55 141.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -93.23 106.24 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -97.64 135.28 39.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.496 ' CD2' ' OD1' ' A' ' 101' ' ' ASN . 34.6 m-85 -112.07 127.49 55.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 100' ' ' LEU . 7.0 mp -102.96 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.442 ' HB3' HG21 ' A' ' 37' ' ' THR . 11.9 m-80 -119.38 143.76 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.8 m-85 -70.37 127.1 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -128.31 150.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.48 -34.1 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -116.25 122.55 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.28 130.95 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -66.01 76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 -72.5 157.81 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 p -68.0 -43.54 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.11 156.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.11 27.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.33 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 m -122.09 -44.77 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 87.5 p -128.15 129.02 45.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' SER . 23.2 t -154.73 133.61 12.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' SER . 91.1 p -36.19 120.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.71 -67.2 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -45.09 120.83 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 9.5 t -55.44 -59.19 5.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.83 -151.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.536 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -57.34 -175.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.067 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 18.12 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -133.3 127.66 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.0 t -55.34 -20.3 11.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -39.09 -45.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.5 mm? -60.62 -40.81 93.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' THR . 28.7 ttp85 -48.93 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -42.48 -49.86 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.76 -35.0 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.13 56.59 3.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.8 mt -108.07 122.22 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -115.5 125.4 53.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.675 HG21 ' CB ' ' A' ' 118' ' ' ASN . 33.1 p -115.95 151.29 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 16.9 m -84.81 -179.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -94.07 -47.56 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -64.7 161.06 18.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.5 147.02 53.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' SER . 29.6 p -142.39 126.53 17.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -38.15 -31.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.4 p -95.1 157.67 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 87' ' ' TYR . 50.1 mt -147.01 151.95 37.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.61 ' HB ' HG11 ' A' ' 120' ' ' VAL . 14.9 p -115.99 120.98 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.2 122.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -95.75 159.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.0 m-20 53.71 26.23 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.81 -127.4 3.08 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 156.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.515 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -43.66 -50.85 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.25 -34.79 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.493 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -87.54 32.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 53.26 19.63 8.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.445 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' ASN . 64.8 t -97.41 106.99 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m -80.69 159.59 25.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' HD23 ' A' ' 74' ' ' LEU . 28.0 ttp180 -60.8 -42.07 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.2 t-20 -74.56 -3.46 31.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -108.13 -16.11 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 26.0 tp -110.04 -38.56 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.94 -42.75 97.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.5 Cg_exo -47.95 -36.94 28.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 100' ' ' LEU . 44.4 t -79.7 -30.41 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.7 mt -79.3 -14.96 58.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.96 -46.03 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.95 45.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -82.05 -69.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.57 -178.94 15.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -77.16 131.55 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG21 HD12 ' A' ' 62' ' ' LEU . 57.6 t -100.0 103.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.29 -53.9 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.46 123.58 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD23 ' HG3' ' A' ' 58' ' ' ARG . 20.3 tp -109.89 101.75 10.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 27.0 tp -82.62 125.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtp -127.53 95.73 34.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.63 30.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 142.92 49.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.632 2.221 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.83 36.95 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 43.8 mmtt -136.11 122.67 14.1 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.685 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.8 12.79 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 36.3 p90 -122.18 155.97 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.9 m -142.22 170.51 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.1 m-85 -127.86 136.97 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.08 153.07 40.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 5.0 ttt180 -130.19 106.19 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CE1' HD12 ' A' ' 45' ' ' LEU . 48.0 m-85 -78.86 158.56 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -74.48 -26.41 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -139.81 149.08 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -59.85 -49.7 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 10.1 pt-20 -44.16 -48.11 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 37.2 mm-40 -59.4 -57.58 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -41.47 -54.22 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 98' ' ' VAL . 14.6 mtpp -56.19 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -50.02 -39.62 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.785 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.61 -34.5 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 23.0 t80 -63.98 -35.5 80.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' LYS . 9.4 t -89.9 -19.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -98.62 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.785 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 19.7 mt -54.42 -48.14 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.4 t-20 -54.35 120.58 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.23 -9.86 76.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -76.8 146.34 37.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -94.25 134.72 36.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 115' ' ' LEU . 23.5 m -134.32 131.07 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG13 ' HA2' ' A' ' 110' ' ' GLY . 19.5 t -74.94 108.97 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.63 175.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.13 -32.59 55.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.95 -34.25 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.441 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 113.52 10.0 15.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -102.77 141.07 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.967 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -78.39 121.06 24.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.0 mt -117.65 140.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 m -91.07 104.64 17.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -88.8 139.16 30.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 31.8 m-85 -116.54 121.81 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.8 mp -101.6 128.96 47.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.675 ' CB ' HG21 ' A' ' 37' ' ' THR . 7.9 m120 -119.01 151.98 37.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 45' ' ' LEU . 17.0 m-85 -78.46 108.18 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.648 HG12 HG22 ' A' ' 37' ' ' THR . 20.4 m -104.26 134.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.475 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 4.3 pt-20 -87.67 -43.26 12.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -123.77 139.8 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 87.0 t -140.99 141.98 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -74.76 74.97 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 98.9 m95 -68.05 144.16 55.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 m -130.75 177.08 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.54 151.1 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.76 12.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -74.9 154.02 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 90.9 p -148.01 135.9 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.51 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -151.7 137.04 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -77.3 91.55 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 119.75 1.13 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.5 p -88.62 157.56 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.943 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' GLY . 23.0 t -95.73 52.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 38.22 88.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -162.85 -178.55 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -88.1 -60.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -98.62 173.05 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 28' ' ' THR . 5.1 m -87.5 20.97 2.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 6.0 mp -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -75.47 -38.48 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' HIS . 2.4 tmm_? -76.77 -70.44 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' GLU . 1.9 t-80 -35.17 -64.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 29' ' ' LEU . 20.0 mm-40 -35.46 -62.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.71 54.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' CD2' ' A' ' 82' ' ' TYR . 79.5 mt -111.69 122.88 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.17 118.96 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.1 p -114.81 146.98 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OH ' ' A' ' 40' ' ' TYR . 12.2 m -91.51 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -98.31 -31.83 11.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 38' ' ' VAL . 24.0 p90 -76.11 174.45 10.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.58 138.76 36.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.8 p -139.57 129.51 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -42.27 -34.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.4 m -89.66 153.26 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -142.75 160.06 41.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 46' ' ' VAL . 11.2 p -122.52 118.56 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.63 116.29 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.25 158.26 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.595 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 1.7 m-20 53.68 26.42 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.28 -127.24 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 157.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.467 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.9 mt -44.48 -51.05 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.24 -34.33 0.94 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.7 m-20 -89.72 33.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.14 35.85 27.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 54' ' ' ASN . 76.5 t -112.31 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -76.1 161.69 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.594 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.8 ttp85 -65.93 -42.1 90.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 25.1 t-20 -73.34 -3.94 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.18 -19.43 13.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 56' ' ' VAL . 17.2 tp -105.02 -39.38 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -56.76 -42.69 97.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -47.97 -37.46 29.64 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.6 HG12 HD22 ' A' ' 100' ' ' LEU . 47.2 t -78.36 -27.66 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 54.9 mt -80.85 -18.58 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.4 -46.52 9.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -53.41 -30.92 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -85.79 -59.38 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.39 176.14 23.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.78 119.99 21.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.19 105.08 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.98 -42.93 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.89 123.96 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.594 HD23 ' HG3' ' A' ' 58' ' ' ARG . 12.7 tp -107.91 105.99 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 125' ' ' TRP . 16.7 tp -87.43 122.5 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 71.6 mtp -125.07 97.42 37.96 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.599 0.714 . . . . 0.0 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.82 137.69 35.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 143.92 52.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.603 2.202 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 54.77 41.41 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -138.47 122.69 11.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.529 0.68 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.32 13.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD2' HD11 ' A' ' 35' ' ' ILE . 34.9 p90 -122.35 158.53 29.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.2 m -143.64 178.71 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.411 ' CG ' HG11 ' A' ' 123' ' ' VAL . 43.4 m-85 -138.05 136.1 36.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.31 151.99 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.3 ttt180 -129.92 112.69 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -81.53 179.27 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -92.41 -31.33 15.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -136.32 135.86 39.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -43.79 -56.95 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' THR . 26.2 mm-40 -37.45 -51.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -55.6 -59.82 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -41.82 -55.83 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 98' ' ' VAL . 5.0 mtpm? -53.95 -49.09 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -49.74 -42.96 47.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.771 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.2 -37.63 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.1 t80 -61.45 -37.17 82.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 94' ' ' LYS . 4.6 t -90.05 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.8 m -96.58 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.771 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 37.6 mt -54.92 -48.77 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 43.3 t-20 -51.55 124.45 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.07 55.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.54 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -73.21 156.36 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -103.28 135.88 44.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -132.27 136.69 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.45 107.61 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.21 177.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.94 -46.0 71.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.54 -28.59 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.01 5.8 28.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.573 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -99.78 144.25 29.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -77.73 134.08 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -126.94 147.92 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.2 m -98.19 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 13.2 mt -95.46 133.32 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -105.29 120.99 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.19 127.81 42.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.482 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 27.0 m-80 -119.61 146.4 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 37.4 m-85 -73.21 129.44 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.9 m -125.95 131.41 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.14 -34.48 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -138.9 159.35 42.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 124' ' ' GLN . 81.4 t -155.32 153.28 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.421 ' N ' HG12 ' A' ' 123' ' ' VAL . 5.3 pt20 -80.82 59.08 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.4 m95 -48.5 -58.41 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.4 t -173.36 111.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.23 163.75 31.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -4.7 14.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t 72.39 36.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -85.87 170.88 11.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 m -89.26 174.11 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -133.53 -44.15 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.75 63.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.89 111.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.4 m -144.0 169.65 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.01 -164.56 15.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' HIS . . . -93.8 25.55 3.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER 35.41 31.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.52 ' CE1' ' HB1' ' A' ' 48' ' ' ALA . 2.4 t-80 -44.09 -69.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m 49.16 24.97 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 29' ' ' LEU . 6.5 tt -109.35 -33.11 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mt -77.81 -25.12 48.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.88 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.62 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -57.67 -25.7 60.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' CD ' ' HE2' ' A' ' 32' ' ' HIS . 25.9 mm-40 -80.85 -44.35 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.04 52.51 0.78 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 82' ' ' TYR . 88.2 mt -109.29 129.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -100.81 113.28 26.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.418 HG22 HG12 ' A' ' 120' ' ' VAL . 22.3 p -112.3 146.16 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.29 -178.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 t -99.77 -48.74 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -60.8 155.6 19.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 145.1 46.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -149.32 126.29 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -41.55 -29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 120' ' ' VAL . 4.2 m -91.05 144.4 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 119' ' ' PHE . 54.0 mt -140.86 145.49 36.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 46' ' ' VAL . 10.7 p -108.16 117.44 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.82 116.37 26.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.52 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -91.82 158.59 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.6 m-20 53.64 26.56 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.92 -127.99 3.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 158.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -44.78 -51.99 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.01 -33.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.6 m-20 -89.34 32.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.55 27.13 17.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 61' ' ' LEU . 35.5 t -104.03 104.61 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -79.88 158.0 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.96 -40.62 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.2 t-20 -74.1 -6.3 46.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.18 -15.74 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 56' ' ' VAL . 14.7 tp -107.39 -39.66 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -56.92 -42.65 97.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.02 -35.63 25.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG13 ' HE2' ' A' ' 67' ' ' LYS . 45.6 t -80.8 -31.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 100' ' ' LEU . 21.2 mt -79.73 -12.53 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.56 -43.28 11.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.809 ' HE2' HG13 ' A' ' 64' ' ' VAL . 3.6 pttm -62.85 -34.97 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.2 m -74.88 -45.85 40.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.57 -177.74 36.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 mt -75.93 123.17 25.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 62' ' ' LEU . 97.6 t -91.4 104.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.96 -51.14 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.08 121.91 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.86 100.99 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.493 HD23 ' HD2' ' A' ' 84' ' ' PHE . 26.7 tp -81.3 121.93 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.0 mtp -124.51 95.91 42.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.75 138.48 37.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.22 37.56 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 22.5 mmtp -135.34 121.4 14.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -5.0 15.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.3 p90 -120.54 155.04 34.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -142.24 169.91 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' HD2' HD23 ' A' ' 75' ' ' LEU . 26.4 m-85 -128.07 122.97 33.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.64 138.82 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt180 -117.03 123.0 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.0 m-85 -93.96 -177.53 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -96.97 -34.2 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 65.0 p -137.17 125.9 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -33.56 -56.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' THR . 15.9 mm-40 -35.6 -50.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -61.49 -49.02 78.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.5 t -52.28 -53.95 37.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.4 mtmt -54.78 -48.69 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -49.94 -45.53 51.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -72.6 -33.48 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.498 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 25.7 t80 -65.04 -39.52 93.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.989 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.11 -19.31 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.1 m -95.33 -63.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.681 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 27.2 mt -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.1 t-20 -47.67 120.95 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 114' ' ' THR . . . 92.41 -27.33 10.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.96 156.41 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.74 0.305 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -105.04 138.92 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 115' ' ' LEU . 14.9 m -136.64 138.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 ' HA2' ' A' ' 110' ' ' GLY . 43.2 t -77.0 113.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.07 -178.56 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -54.15 -41.85 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.2 -27.95 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 106.38 7.05 35.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -99.87 138.22 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -74.65 129.13 37.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.6 mt -123.85 144.38 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' GLY . 6.9 m -90.45 109.3 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.639 HD11 HG21 ' A' ' 105' ' ' VAL . 10.9 mt -96.05 135.27 38.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.5 120.37 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 100' ' ' LEU . 8.4 mp -98.16 128.48 44.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 3.9 m120 -119.51 139.83 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.498 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.2 m-85 -66.34 124.05 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' SER . 35.4 m -126.6 144.97 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -108.04 -31.75 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -118.16 127.58 53.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.14 130.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.88 73.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 96.8 m95 -62.45 -55.54 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 t -174.67 112.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.38 143.79 4.72 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.02 39.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.2 p -77.33 136.43 38.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.3 m -116.98 153.29 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -79.83 99.01 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.375 . . . . 0.0 110.801 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -46.71 108.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.52 175.77 14.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -107.75 176.37 5.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.411 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.4 p -69.86 155.49 40.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.9 -133.65 10.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.8 174.73 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -42.88 89.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CE1' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -89.09 122.32 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ARG . 11.8 p -59.65 -19.14 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' THR . 2.8 mp -34.37 -43.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 27' ' ' HIS . 2.3 mm? -79.45 -41.01 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.6 OUTLIER -53.65 -44.9 69.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -54.75 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.59 -43.35 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.41 42.06 2.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.433 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -97.11 123.27 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.8 127.57 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.572 HG21 ' HB3' ' A' ' 118' ' ' ASN . 41.7 p -121.39 138.4 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.1 m -79.82 174.26 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -95.41 -44.35 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 38' ' ' VAL . 23.2 p90 -62.68 166.95 4.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -71.17 143.1 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 p -139.64 146.38 39.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.56 -27.95 69.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -96.01 154.15 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' HE1' ' A' ' 87' ' ' TYR . 66.1 mt -144.49 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.5 p -105.22 118.03 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -84.47 113.88 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.36 166.6 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 46.71 26.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.55 -128.62 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 154.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -43.07 -53.63 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 t-20 -90.94 35.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.69 35.34 23.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ASN . 68.2 t -111.54 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -82.65 156.37 23.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -62.52 -39.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -71.89 -7.56 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -108.1 -21.37 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.0 tp -98.86 -40.83 7.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.73 -42.77 98.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -48.06 -39.66 33.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.296 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 100' ' ' LEU . 35.0 t -77.75 -29.4 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.4 mt -81.22 -19.57 42.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 32.7 mt-10 -83.76 -45.01 13.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -54.01 -33.17 56.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' HD21 ' A' ' 100' ' ' LEU . 34.2 m -80.89 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.03 -175.72 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.81 126.86 32.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -94.93 107.01 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 1.1 p30 -79.16 -48.11 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -148.09 124.85 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -117.18 107.99 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 84' ' ' PHE . 20.0 tp -88.84 123.09 32.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.0 mtp -124.73 95.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.57 25.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.53 42.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 63.49 33.41 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 67.0 mmtt -134.02 122.32 16.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 52.7 Cg_endo -69.87 -1.58 8.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 24.7 p90 -125.84 151.01 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.948 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 m -137.1 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 75' ' ' LEU . 52.9 m-85 -132.06 129.56 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.97 144.48 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -122.96 118.09 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.555 ' HE1' HD12 ' A' ' 45' ' ' LEU . 61.1 m-85 -90.3 167.42 12.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -78.5 -40.47 35.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.3 p -127.83 147.08 50.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 m -52.02 -57.31 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' THR . 28.4 mt-10 -35.92 -58.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -48.01 -60.56 2.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -40.09 -58.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 37.8 mtpt -52.14 -51.15 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -48.46 -45.68 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.654 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 24.5 t80 -67.15 -37.92 84.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.3 -21.67 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.9 m -92.96 -63.91 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 64' ' ' VAL . 28.2 mt -55.21 -53.16 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.0 t-20 -48.89 122.23 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 114' ' ' THR . . . 93.16 -24.27 25.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -69.02 154.22 42.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -100.12 140.65 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 115' ' ' LEU . 6.3 m -137.54 139.72 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.9 108.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.652 ' OD2' HD12 ' A' ' 113' ' ' ILE . 10.1 m-20 -72.56 176.03 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -52.48 -32.53 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.36 -29.42 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.62 12.3 30.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -111.91 141.41 45.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -74.6 123.29 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.652 HD12 ' OD2' ' A' ' 107' ' ' ASP . 8.4 mt -120.71 140.32 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 102' ' ' GLY . 13.1 m -90.41 104.41 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -88.1 149.09 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.442 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.6 m-85 -120.65 118.26 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.93 128.44 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.572 ' HB3' HG21 ' A' ' 37' ' ' THR . 5.5 m120 -119.29 142.96 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.654 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 25.2 m-85 -69.9 116.16 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.615 HG23 ' HB2' ' A' ' 44' ' ' SER . 29.6 m -117.25 150.24 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.47 -37.18 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -113.37 121.33 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.417 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.4 t -140.51 128.49 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.26 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.44 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 95.2 m95 -72.83 139.07 46.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.3 m -75.02 105.11 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.38 151.75 7.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 108.97 2.19 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.7 m -132.11 156.21 46.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.7 m -67.76 85.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -84.77 96.71 9.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.823 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 t -48.05 -51.29 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.57 62.12 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.6 p -109.21 111.73 23.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -171.1 143.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.23 53.62 0.71 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.98 -175.74 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -96.74 -33.27 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HD2' ' CB ' ' A' ' 29' ' ' LEU . 2.1 p-80 -113.01 161.01 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.818 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -94.14 31.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' CB ' ' HD2' ' A' ' 27' ' ' HIS . 2.4 tp -86.33 -24.48 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.6 mm? -81.71 -46.82 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -54.85 -58.33 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.06 -53.73 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE1' ' CD2' ' A' ' 82' ' ' TYR . 84.9 mt-10 -49.95 -52.28 34.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.16 48.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.546 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 82' ' ' TYR . 65.7 mt -106.42 130.63 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -99.25 115.89 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.669 HG22 HG12 ' A' ' 120' ' ' VAL . 43.9 p -122.03 132.64 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG13 ' HG2' ' A' ' 121' ' ' GLU . 33.8 m -82.22 177.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t -95.4 -41.63 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -72.28 158.09 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -55.83 151.36 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 p -149.65 136.82 19.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -45.82 -44.01 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.58 156.2 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.702 HD11 ' OG ' ' A' ' 93' ' ' SER . 39.9 mt -146.96 142.0 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 46' ' ' VAL . 7.1 p -105.15 120.54 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.43 107.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.742 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -81.9 167.84 18.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 47.8 25.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.31 -129.19 3.17 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.452 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 152.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -42.12 -50.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.57 -35.75 1.43 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.512 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.9 m-20 -85.4 28.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.81 24.66 34.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.557 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.7 t -100.99 105.98 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -76.45 159.55 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.99 -39.31 93.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 8.6 m120 -73.87 -4.02 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -108.42 -16.19 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.9 tp -109.18 -40.46 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -55.11 -43.2 98.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.996 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.6 Cg_exo -47.98 -36.66 28.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.333 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.57 HG12 HD22 ' A' ' 100' ' ' LEU . 26.1 t -81.7 -23.79 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.19 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.7 mt -85.43 -13.15 50.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -92.06 -42.33 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -34.45 74.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.0 m -79.08 -52.36 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.72 -169.81 16.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.2 mt -89.08 126.77 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.53 105.79 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.29 -49.46 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.08 124.11 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 tp -115.64 105.7 13.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.687 HD22 ' HA ' ' A' ' 125' ' ' TRP . 22.2 tp -86.93 123.54 32.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.6 mtp -124.37 96.96 40.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.474 0.654 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.65 26.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 140.34 42.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.745 2.297 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 61.7 38.55 15.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 53.9 mmtt -137.63 122.62 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 1.45 4.41 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.622 2.215 . . . . 0.0 112.339 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 23.6 p90 -131.18 148.53 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.6 m -130.44 -179.78 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.423 ' CE1' HG23 ' A' ' 46' ' ' VAL . 77.7 m-85 -137.57 120.8 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.42 146.83 32.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.2 ttp180 -122.15 103.54 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 44.1 m-85 -77.26 153.34 34.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.511 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -64.68 -41.75 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.511 HG22 ' HD3' ' A' ' 88' ' ' ARG . 2.9 p -130.08 146.94 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -53.03 -51.0 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.59 -50.79 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.82 -55.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.702 ' OG ' HD11 ' A' ' 45' ' ' LEU . 4.1 t -44.8 -56.36 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 18.0 mtpp -52.9 -49.99 64.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -47.65 -42.96 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.66 -39.93 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -58.2 -35.85 72.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.5 t -90.18 -22.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.5 m -95.24 -64.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.796 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 16.4 mt -53.66 -48.41 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.2 t-20 -51.59 123.09 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.83 -17.48 45.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 49.4 tttm -66.98 155.93 37.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 6.5 mp0 -104.88 147.86 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.3 m -149.05 147.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 110' ' ' GLY . 44.1 t -86.44 115.15 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.94 -177.38 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -55.07 -45.69 75.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.4 mt -60.18 -29.93 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 107.26 11.88 24.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -96.68 144.76 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -79.75 101.65 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.63 152.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 m -105.83 101.17 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.1 134.47 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.742 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 86.5 m-85 -104.56 165.33 11.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.9 mp -139.44 126.15 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.0 m-20 -120.28 135.25 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -65.23 124.77 23.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.669 HG12 HG22 ' A' ' 37' ' ' THR . 24.5 m -123.96 126.19 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.419 ' HG2' HG13 ' A' ' 38' ' ' VAL . 6.5 pt-20 -73.89 -41.6 61.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -132.76 149.87 52.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 124' ' ' GLN . 77.4 t -136.74 153.83 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.446 ' O ' ' CD ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -79.51 45.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.687 ' HA ' HD22 ' A' ' 75' ' ' LEU . 91.3 m95 -38.95 141.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.1 p -77.65 98.66 5.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.48 154.28 36.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.07 9.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.5 m -50.07 148.84 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t -85.57 151.22 24.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -109.55 102.96 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -55.02 -44.66 74.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.07 160.5 9.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -147.12 107.89 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 m -119.03 143.44 47.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 -167.82 20.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.41 177.87 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -57.68 -13.94 4.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.05 160.27 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -101.12 32.24 3.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.31 -29.37 21.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -66.23 -41.0 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.42 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -44.68 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.18 -39.67 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.77 59.28 1.07 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.88 128.32 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.31 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -102.25 130.39 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 118' ' ' ASN . 42.9 p -129.76 148.86 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 42' ' ' THR . 28.7 m -98.91 174.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -91.73 -49.59 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.6 159.12 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . . . -59.34 143.33 49.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.485 HG21 ' CG2' ' A' ' 38' ' ' VAL . 77.4 p -141.94 123.82 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -41.49 -31.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.465 ' CB ' HG23 ' A' ' 120' ' ' VAL . 20.9 m -94.51 142.05 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.5 mt -134.46 145.82 49.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.7 p -112.28 119.75 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.03 112.11 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.15 163.27 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 51.31 25.34 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.22 -127.77 3.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.34 157.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 55' ' ' GLY . 23.7 mt -45.38 -51.62 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.43 -32.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.5 m120 -89.9 34.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.19 17.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.0 t -97.55 102.43 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -76.67 169.24 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.604 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.9 ttp180 -68.74 -39.42 80.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.9 t30 -72.73 -5.01 34.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.16 -22.23 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.513 HD13 HG11 ' A' ' 56' ' ' VAL . 16.2 tp -100.27 -41.54 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -54.64 -43.72 98.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.624 0.726 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.0 Cg_exo -47.94 -34.9 23.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 100' ' ' LEU . 13.5 t -87.45 -20.51 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 100' ' ' LEU . 95.9 mt -87.65 -12.47 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 49.4 mt-10 -88.96 -48.81 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 -44.91 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -61.87 -58.52 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.93 -158.5 8.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.1 mt -85.85 125.65 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.473 HG21 HD12 ' A' ' 62' ' ' LEU . 84.7 t -88.5 103.96 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -70.04 -53.21 18.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.69 130.12 12.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' ARG . 24.4 tp -114.48 97.47 6.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 18.6 tp -80.5 123.42 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtp -127.44 95.68 35.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.11 34.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.2 53.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.7 m120 56.19 38.78 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -136.91 121.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.3 Cg_endo -69.8 -4.62 14.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -123.68 146.18 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -130.17 -179.8 5.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.788 ' CG ' HG11 ' A' ' 123' ' ' VAL . 44.8 m-85 -139.81 126.86 20.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.49 156.69 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.59 114.81 13.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 50.3 m-85 -84.03 175.48 9.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -87.14 -34.33 19.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -138.58 132.71 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -38.03 -57.57 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' THR . 53.6 mt-10 -32.66 -61.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.66 -62.38 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.673 ' OG ' HD11 ' A' ' 45' ' ' LEU . 11.8 t -38.76 -52.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 41' ' ' ALA . 7.4 mtmp? -57.08 -48.82 77.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -49.56 -41.53 41.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.7 -35.37 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.626 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 13.0 t80 -63.1 -36.92 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.02 -19.46 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.9 m -95.35 -63.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 64' ' ' VAL . 15.1 mt -56.23 -52.58 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -46.59 124.31 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.36 -27.96 6.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 30.6 tttt -57.07 163.09 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 41.2 mt-10 -113.57 126.95 55.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 115' ' ' LEU . 17.6 m -123.12 141.08 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 110' ' ' GLY . 18.2 t -82.04 113.27 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.53 169.98 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -49.13 -33.46 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.95 -30.06 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 103.49 25.92 7.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -118.03 140.87 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -73.5 114.72 12.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.1 mt -108.95 145.24 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 m -99.31 105.82 17.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 105' ' ' VAL . 16.4 mt -93.82 140.17 29.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.0 m-85 -115.89 121.6 42.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.7 128.98 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -119.61 138.02 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.626 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -68.89 107.07 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 44' ' ' SER . 11.2 m -104.43 128.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.6 -40.65 66.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -135.61 161.4 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.788 HG11 ' CG ' ' A' ' 84' ' ' PHE . 97.2 t -159.01 135.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -59.81 77.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' VAL . 98.9 m95 -72.77 151.29 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.2 m -86.82 162.71 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -173.21 150.29 12.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -1.31 8.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 38.0 t -139.58 151.0 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.0 m -94.34 91.56 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -152.06 140.27 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.6 p -141.17 173.81 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.3 125.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -121.95 -61.18 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -132.34 101.96 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.72 -164.25 23.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.99 161.36 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.354 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -44.84 -45.71 10.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HE1' ' HB1' ' A' ' 48' ' ' ALA . 1.7 p80 -104.0 152.41 22.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 28' ' ' THR . 5.6 m -85.91 32.62 0.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -87.38 -33.95 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.2 mm? -61.8 -42.03 98.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' GLU . 7.4 tpm_? -41.55 -65.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ARG . 26.2 m80 -36.71 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.2 mp0 -92.15 -46.69 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 47.03 2.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.412 HD11 ' CD2' ' A' ' 82' ' ' TYR . 82.4 mt -96.98 132.53 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -105.26 119.64 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 118' ' ' ASN . 29.2 p -116.07 134.75 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' ' 42' ' ' THR . 17.0 m -78.08 -176.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -103.89 -45.07 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -68.91 157.29 36.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.51 134.45 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 38' ' ' VAL . 52.3 p -134.53 128.59 33.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -42.39 -31.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -91.78 141.68 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.513 HD11 ' OG ' ' A' ' 93' ' ' SER . 40.4 mt -136.05 152.44 50.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.0 p -117.85 123.19 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 117.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.08 152.83 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.21 24.97 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.98 -127.56 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 152.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 mt -41.83 -49.94 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -36.26 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 50' ' ' GLY . 5.9 t-20 -88.45 32.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.58 29.44 48.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.15 115.76 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.091 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.0 p -86.49 158.78 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -61.33 -42.11 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.0 t-20 -74.35 -3.69 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 27.7 tp60 -108.19 -16.41 14.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 24.1 tp -109.26 -38.4 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.7 tp -57.45 -42.44 95.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.9 Cg_exo -47.99 -42.71 31.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 100' ' ' LEU . 48.7 t -72.82 -24.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 62' ' ' LEU . 21.8 mt -85.65 -20.48 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 62' ' ' LEU . 93.8 mt-10 -86.19 -43.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -53.04 -36.48 60.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -74.39 -63.26 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.93 -152.53 5.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.5 mt -97.29 125.6 41.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.94 106.79 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.42 -47.28 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.58 135.74 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.4 tp -120.44 100.88 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 84' ' ' PHE . 16.5 tp -84.63 120.23 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 74.7 mtp -122.68 96.15 45.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.8 136.16 32.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.802 2.335 . . . . 0.0 112.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.92 46.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.5 37.38 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -136.57 121.92 13.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.33 9.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.3 p90 -124.84 154.16 41.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -137.93 -179.9 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.591 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.1 m-85 -136.95 128.52 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.38 153.25 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -128.89 111.09 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 45' ' ' LEU . 45.8 m-85 -86.42 146.67 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 89' ' ' THR . 0.0 OUTLIER -59.34 -34.98 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.451 HG23 ' CD ' ' A' ' 88' ' ' ARG . 17.3 p -143.37 129.25 19.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -34.23 -55.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' THR . 62.1 mm-40 -34.55 -55.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.83 -45.09 90.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.513 ' OG ' HD11 ' A' ' 45' ' ' LEU . 1.7 t -55.24 -52.83 62.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.1 mtmt -55.34 -46.19 76.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -52.43 -43.48 64.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.66 -35.08 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 22.2 t80 -62.96 -36.18 82.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' LYS . 8.2 t -90.2 -18.56 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.5 m -97.03 -63.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 64' ' ' VAL . 15.5 mt -55.99 -51.45 67.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 30.8 t-20 -42.21 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 105.43 21.85 8.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 100' ' ' LEU . 9.1 ttpp -89.95 163.26 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -110.37 128.52 55.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.485 HG21 HD11 ' A' ' 115' ' ' LEU . 5.2 m -138.96 132.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.25 109.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.28 179.36 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.74 -41.82 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.65 -30.53 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.7 14.95 14.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -112.29 134.67 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.95 111.21 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 114' ' ' THR . 9.2 mt -100.45 161.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 113' ' ' ILE . 2.2 m -103.88 105.64 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 105' ' ' VAL . 22.4 mt -93.11 128.68 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.831 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.1 m-85 -98.68 167.34 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.4 127.77 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.489 ' CB ' HG21 ' A' ' 37' ' ' THR . 5.8 m-80 -122.34 147.25 46.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.6 m-85 -76.43 113.99 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.69 151.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.18 -33.06 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -112.09 126.22 54.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.51 137.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.17 72.69 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.14 162.97 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.1 m -84.27 126.35 33.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.76 -178.33 4.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.36 25.92 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.379 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m 63.32 48.88 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.8 m -162.16 106.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.563 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 t -45.74 117.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.55 137.03 38.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.8 -140.79 8.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -89.72 160.15 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.829 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -69.98 173.92 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.6 -54.67 21.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.38 -176.88 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -68.98 -47.27 65.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.586 ' CE1' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -89.82 151.09 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 28' ' ' THR . 12.8 m -96.91 27.6 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 29' ' ' LEU . 7.5 tt -79.81 -29.36 40.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 35' ' ' ILE . 2.8 mm? -68.59 -45.57 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -49.74 -61.12 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -43.66 -31.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.01 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.78 50.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.949 HD11 ' CD2' ' A' ' 82' ' ' TYR . 78.6 mt -108.82 133.17 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.38 127.91 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.42 HG21 ' HB3' ' A' ' 118' ' ' ASN . 16.4 p -126.4 137.12 53.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 40' ' ' TYR . 17.5 m -80.96 -176.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -103.0 -44.62 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 13.9 p90 -63.06 170.3 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -74.5 138.3 43.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 40.4 p -135.12 137.83 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -55.18 -22.51 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -102.63 151.16 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HE1' ' A' ' 87' ' ' TYR . 78.5 mt -139.86 150.32 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 46' ' ' VAL . 9.3 p -111.38 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.32 109.99 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.58 162.06 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 51.87 25.05 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.24 -130.41 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.82 152.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -40.81 -51.98 3.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.94 -37.33 0.97 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -86.41 33.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.88 36.04 25.91 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.93 110.29 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -80.88 155.6 26.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 74' ' ' LEU . 56.3 ttt180 -62.75 -38.58 91.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 72.2 m-20 -72.7 -5.9 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -108.24 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 15.1 tp -102.13 -40.81 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.3 tp -55.85 -43.07 99.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.9 -34.28 21.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.714 HG12 HD22 ' A' ' 100' ' ' LEU . 39.9 t -82.01 -27.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.7 mt -81.38 -20.52 40.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -82.32 -33.37 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' CYS . 17.6 ptpt -67.89 -38.98 83.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.1 m -72.84 -49.64 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.74 -167.3 18.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.94 135.06 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.34 97.94 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.21 -50.64 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.17 127.72 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.703 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.8 tp -114.7 109.38 18.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.9 tp -88.99 128.26 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.3 mtp -130.16 95.27 28.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 131.31 21.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.409 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.65 40.77 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 66.67 29.76 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 mmtp -131.54 123.0 19.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.94 9.28 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.79 2.327 . . . . 0.0 112.369 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.949 ' CD2' HD11 ' A' ' 35' ' ' ILE . 20.6 p90 -126.29 151.07 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.3 m -135.49 172.71 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.433 ' CB ' HG11 ' A' ' 123' ' ' VAL . 38.4 m-85 -132.18 128.36 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.06 151.81 31.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.554 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.0 ttp85 -125.75 113.32 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HE1' HD12 ' A' ' 45' ' ' LEU . 59.0 m-85 -84.59 178.26 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -92.89 -36.43 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -135.74 134.59 39.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.9 m -40.65 -59.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' THR . 37.9 mt-10 -33.37 -51.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.48 -60.59 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.5 t -40.77 -51.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 30.3 mtpt -58.91 -47.26 85.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -52.84 -44.09 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.67 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.56 -32.74 62.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 30.2 t80 -64.42 -37.43 87.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.71 -24.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.8 m -90.18 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 64' ' ' VAL . 37.5 mt -54.78 -53.84 49.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -45.77 123.34 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 114' ' ' THR . . . 89.0 -27.95 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 28.5 tttt -59.27 152.69 20.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.3 mt-10 -101.58 130.49 47.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 115' ' ' LEU . 24.3 m -127.19 133.19 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.0 t -71.94 115.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -75.59 178.62 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.11 -45.05 75.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.91 -29.26 69.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.4 16.43 12.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -105.98 139.1 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -79.18 117.84 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.88 144.67 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 102' ' ' GLY . 15.9 m -92.22 105.51 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 105' ' ' VAL . 11.4 mt -90.95 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.96 118.5 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.1 mp -96.02 127.02 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.1 m120 -119.32 136.65 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 36.5 m-85 -63.1 122.91 17.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.95 142.13 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -106.05 -41.22 5.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -99.99 121.41 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' TRP . 97.9 t -141.26 123.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -60.19 76.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.554 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.1 m95 -69.28 123.51 21.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.1 t -76.24 163.22 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 99.95 151.7 26.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.94 34.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.9 t -58.12 147.11 31.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.4 p -93.0 138.82 31.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -133.26 147.48 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -66.1 -59.55 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.31 167.7 20.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -110.7 137.72 48.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -131.66 43.63 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 130.77 10.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -53.01 178.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -63.25 -19.66 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.513 ' HB2' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -128.67 155.78 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.37 39.75 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 27' ' ' HIS . 6.8 mp -100.67 -31.1 11.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.692 HD23 ' HB3' ' A' ' 25' ' ' ALA . 2.3 mm? -79.5 -22.7 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -92.82 -39.37 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -21.88 66.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.27 -25.33 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 15.96 32.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 82' ' ' TYR . 33.9 mt -79.36 114.3 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.28 118.68 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.636 HG22 HG12 ' A' ' 120' ' ' VAL . 30.9 p -114.25 133.74 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.94 -177.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -101.67 -46.23 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -59.72 162.93 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -63.93 141.36 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.4 p -142.76 126.7 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.7 -34.28 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.8 m -88.96 153.0 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD21 ' CE1' ' A' ' 119' ' ' PHE . 38.9 mt -146.36 153.2 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 46' ' ' VAL . 15.0 p -117.82 121.48 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.99 118.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.87 158.1 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 53.94 26.64 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -129.55 -127.78 2.97 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 152.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.4 mt -43.52 -51.35 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.87 -34.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.7 t-20 -89.58 35.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.26 24.7 10.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 54' ' ' ASN . 89.4 t -101.97 109.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -80.0 161.53 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' HD23 ' A' ' 74' ' ' LEU . 26.4 ttm180 -65.4 -35.87 82.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 5.5 m120 -73.85 -6.09 45.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.35 -15.93 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 13.7 tp -107.4 -40.23 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.35 -42.75 97.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.5 Cg_exo -47.92 -39.23 32.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 100' ' ' LEU . 43.1 t -76.95 -24.4 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.93 -20.1 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 60.8 mt-10 -87.15 -41.86 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -58.34 -36.25 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.76 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.22 -167.02 10.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -87.07 122.88 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.431 HG21 HD12 ' A' ' 62' ' ' LEU . 67.0 t -90.83 101.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.3 -46.6 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 125.9 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD23 ' HG3' ' A' ' 58' ' ' ARG . 13.9 tp -113.37 103.67 11.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.486 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 20.8 tp -84.92 124.11 31.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 49.9 mtp -125.74 97.96 35.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 0.0 110.87 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.4 Cg_endo -69.9 135.61 30.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.64 2.227 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 141.65 45.28 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 59.37 38.63 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -136.55 123.49 14.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.75 10.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' A' ' 35' ' ' ILE . 37.4 p90 -125.47 155.29 40.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 m -138.7 177.84 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -134.57 128.72 33.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.25 143.47 47.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 22.6 ttt180 -125.16 110.25 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -78.61 175.84 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -84.33 -31.21 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.8 p -142.49 142.7 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.4 m -46.72 -55.57 7.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 12.9 mt-10 -35.25 -62.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.15 -56.47 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.06 -50.25 6.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 15.5 mtpp -58.65 -47.73 83.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -51.78 -43.72 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.96 -30.08 58.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 27.3 t80 -67.77 -36.49 80.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.34 -23.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.4 m -90.87 -59.38 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 64' ' ' VAL . 23.5 mt -60.08 -57.32 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -37.7 93.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 108.34 22.32 7.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' LEU . 5.9 ttpp -91.06 152.48 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -102.74 120.44 40.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 115' ' ' LEU . 30.8 m -131.68 136.77 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.15 112.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.625 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -76.91 175.78 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -53.26 -28.81 29.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.0 mt -70.33 -26.34 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.31 10.3 42.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.47 136.05 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -70.81 98.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 107' ' ' ASP . 2.8 mt -91.43 152.41 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.9 m -101.73 108.46 19.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 105' ' ' VAL . 16.2 mt -94.89 136.69 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.699 ' C ' HD12 ' A' ' 117' ' ' LEU . 8.4 m-85 -107.69 169.93 8.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.699 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.2 mp -143.39 126.18 16.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 6.0 m120 -119.02 143.25 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.0 m-85 -71.75 113.74 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 37' ' ' THR . 19.6 m -115.91 148.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.67 -34.55 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -109.09 120.62 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.93 126.81 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -67.15 75.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TRP . . . . . 0.536 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 -68.55 155.93 39.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.7 m -116.46 131.96 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.85 179.57 35.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -2.17 9.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -83.6 139.67 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.1 p -114.99 161.87 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.51 HD11 ' CG ' ' A' ' 82' ' ' TYR . 61.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -94.77 128.54 41.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 p -127.33 138.17 52.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.727 HG11 ' OH ' ' A' ' 40' ' ' TYR . 19.3 m -82.82 179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -100.24 -37.93 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.727 ' OH ' HG11 ' A' ' 38' ' ' VAL . 17.3 p90 -68.01 -178.18 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -88.59 137.73 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 55.5 p -140.37 125.57 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' THR . 55.4 mt-30 -37.17 -36.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -85.92 150.59 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 119' ' ' PHE . 34.0 mt -142.63 163.2 33.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 46' ' ' VAL . 8.9 p -125.97 119.35 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.25 114.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.65 155.75 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 69.4 m-20 57.14 26.6 12.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.72 -126.5 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 155.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.4 mt -44.16 -50.32 8.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.58 -34.82 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.2 m-20 -88.95 33.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.27 33.34 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 54' ' ' ASN . 77.7 t -111.94 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.809 0.338 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -77.22 164.16 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG3' HD23 ' A' ' 74' ' ' LEU . 19.4 ttp180 -64.71 -41.25 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 4.1 m-20 -73.69 -2.95 25.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -108.04 -19.85 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -105.74 -39.07 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 7.2 tp -56.55 -42.77 97.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.1 Cg_exo -48.07 -36.77 29.02 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.656 2.238 . . . . 0.0 112.319 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 100' ' ' LEU . 39.3 t -80.86 -29.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 78.2 mt -78.48 -14.55 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -91.94 -45.95 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 64' ' ' VAL . 19.6 ptmt -53.62 -34.84 59.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 100' ' ' LEU . 3.7 m -81.26 -59.13 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.56 172.28 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.79 133.83 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.62 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.16 -50.08 37.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.91 127.99 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.7 tp -114.12 101.6 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 84' ' ' PHE . 18.4 tp -81.86 124.23 29.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 61.6 mtp -129.66 94.7 31.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.692 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.75 137.85 36.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.08 49.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.78 37.51 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' CE ' ' OH ' ' A' ' 82' ' ' TYR . 35.7 mmtm -134.97 121.3 14.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.69 16.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.41 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CG ' HD11 ' A' ' 35' ' ' ILE . 18.6 p90 -122.78 146.73 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 175.53 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.642 ' CG ' HG11 ' A' ' 123' ' ' VAL . 45.8 m-85 -133.08 135.84 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.66 154.31 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -130.88 110.35 11.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' HE1' HD12 ' A' ' 45' ' ' LEU . 53.4 m-85 -83.62 172.43 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -83.18 -42.67 17.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -130.27 137.5 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -41.04 -59.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.0 mt-10 -33.72 -51.91 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.64 -58.14 9.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.04 -56.67 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 36.4 mtpt -53.21 -52.03 60.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -47.4 -43.28 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.738 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.38 -31.63 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -67.42 -35.42 79.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 94' ' ' LYS . 6.6 t -89.86 -18.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -99.99 -62.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.738 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.7 mt -55.52 -48.48 74.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 45.0 t-20 -51.86 123.46 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.65 -23.62 24.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -70.08 146.89 50.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -96.07 160.28 14.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -156.18 134.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.08 126.45 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.42 -178.5 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.99 -41.84 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.7 -27.63 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.14 12.4 27.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.9 133.97 50.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -68.68 124.22 23.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.25 145.26 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 m -95.45 110.37 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 11.0 mt -100.32 147.71 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.9 m-85 -123.92 122.15 37.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.4 128.14 43.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.487 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 33.6 m-20 -119.07 146.08 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.5 m-85 -74.04 125.91 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 44' ' ' SER . 34.1 m -126.77 125.89 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.85 -43.78 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.642 HG11 ' CG ' ' A' ' 84' ' ' PHE . 95.1 t -151.63 142.62 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.49 75.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.503 HD11 ' CD2' ' A' ' 82' ' ' TYR . 85.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -107.72 112.16 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG12 ' A' ' 120' ' ' VAL . 33.9 p -106.84 144.03 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.41 HG21 ' CE1' ' A' ' 40' ' ' TYR . 31.4 m -83.48 -175.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -104.99 -40.81 5.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 42' ' ' THR . 23.0 p90 -68.74 168.24 13.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.44 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.563 HG22 ' CE2' ' A' ' 40' ' ' TYR . 45.8 p -133.93 133.8 41.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -49.23 -24.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -99.26 150.79 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 93' ' ' SER . 79.3 mt -143.62 141.55 30.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.8 p -105.12 122.19 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.98 114.44 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.43 153.59 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 61.08 25.22 15.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -128.16 -128.92 3.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.77 157.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.413 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.6 mt -45.52 -52.01 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -32.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 t-20 -92.35 34.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.07 38.85 32.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 54' ' ' ASN . 58.4 t -112.83 117.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 m -88.52 153.55 21.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -58.8 -42.21 88.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t-20 -74.03 -3.0 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 41.5 tp60 -108.16 -18.47 13.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 21.0 tp -107.29 -38.57 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -57.07 -42.61 97.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -48.02 -37.57 30.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.548 HG12 HD22 ' A' ' 100' ' ' LEU . 45.3 t -79.89 -24.53 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.6 mt -85.92 -14.4 44.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.12 -44.78 10.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -35.87 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 100' ' ' LEU . 7.8 m -77.18 -55.91 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.29 -178.75 25.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.55 128.99 35.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 62' ' ' LEU . 88.0 t -98.22 110.26 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.62 -51.85 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.31 129.98 16.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.34 105.52 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.506 HD23 ' CD2' ' A' ' 84' ' ' PHE . 22.7 tp -85.1 122.72 29.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 73.4 mtp -127.01 96.97 33.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.0 Cg_endo -69.83 138.77 38.37 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.84 49.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.08 41.96 31.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -136.96 122.41 13.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -4.76 14.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' HD11 ' A' ' 35' ' ' ILE . 18.8 p90 -123.46 153.05 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -140.17 177.05 8.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD2' HD23 ' A' ' 75' ' ' LEU . 49.0 m-85 -133.67 136.15 44.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.67 144.7 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.9 ttp180 -122.81 107.67 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -80.48 172.97 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -87.79 -29.18 21.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -138.99 141.77 38.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.8 m -50.48 -53.94 26.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 14.3 pt-20 -36.86 -52.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 67.4 mt-10 -57.99 -61.29 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.526 ' O ' HD11 ' A' ' 45' ' ' LEU . 2.1 t -38.53 -49.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.775 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.36 -53.29 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -47.59 -42.82 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.734 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.24 -33.33 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.582 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.4 t80 -65.36 -36.67 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.66 -20.18 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.7 m -96.48 -63.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 21.2 mt -54.49 -51.0 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 50.3 t-20 -50.18 117.69 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 114' ' ' THR . . . 95.91 -25.81 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.13 157.73 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.33 145.26 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 115' ' ' LEU . 14.8 m -141.34 138.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.95 107.35 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 3.1 p30 -65.36 -175.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.474 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 37.1 mt -61.61 -30.0 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.16 19.38 8.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.0 144.02 40.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -79.09 122.77 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -117.79 149.36 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 102' ' ' GLY . 5.7 m -100.9 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -91.67 146.28 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 50.9 m-85 -119.14 119.94 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.9 mp -98.56 127.43 44.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.458 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.5 m-20 -118.96 146.1 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.7 m-85 -73.51 117.66 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.686 HG12 HG22 ' A' ' 37' ' ' THR . 23.7 m -125.15 148.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.37 -37.78 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -102.66 132.75 48.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 69.5 t -157.49 136.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.25 68.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.411 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.1 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.762 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.1 mt . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -113.66 124.2 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.643 HG22 ' CG1' ' A' ' 120' ' ' VAL . 42.1 p -119.12 148.83 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 40' ' ' TYR . 24.5 m -86.88 -179.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -100.96 -44.14 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.595 ' CE1' HG21 ' A' ' 38' ' ' VAL . 20.6 p90 -61.39 158.97 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HD2' ' A' ' 94' ' ' LYS . . . -65.13 133.82 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -135.97 142.32 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.81 -32.39 65.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.401 ' CB ' HG23 ' A' ' 120' ' ' VAL . 62.4 m -88.93 143.89 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.0 mt -139.55 141.2 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 46' ' ' VAL . 12.0 p -107.36 123.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.15 115.35 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.46 147.35 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.2 m-20 66.13 26.68 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -129.67 -125.58 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.7 155.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.96 -48.79 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.39 -36.94 2.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.9 m-20 -86.26 33.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.8 15.82 3.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 54' ' ' ASN . 53.3 t -93.58 107.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.9 p -79.86 162.0 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.47 -40.84 98.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.8 t-20 -73.41 -4.43 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -108.24 -18.97 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.6 tp -105.27 -39.59 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.41 -42.99 99.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.3 Cg_exo -47.95 -40.42 32.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.517 HG12 HD22 ' A' ' 100' ' ' LEU . 37.9 t -76.25 -30.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 100' ' ' LEU . 50.5 mt -80.55 -12.45 59.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.08 -46.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -54.02 -31.78 52.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.523 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.6 m -81.11 -61.33 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.44 -167.31 10.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 mt -87.52 124.18 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.96 97.76 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.36 -45.64 62.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.8 131.48 13.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 tp -120.46 103.74 9.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 84' ' ' PHE . 29.4 tp -82.6 125.26 30.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.8 mtp -128.16 96.08 32.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 136.25 32.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.755 2.303 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 141.17 44.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 58.12 41.99 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 30.9 mmtp -139.79 121.34 9.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.878 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.69 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.762 ' CD2' HD11 ' A' ' 35' ' ' ILE . 24.7 p90 -127.56 144.4 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.7 m -129.79 177.88 6.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.7 m-85 -135.68 129.1 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.1 153.87 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 13.2 ttp85 -130.92 103.74 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 44.8 m-85 -75.43 178.22 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.0 p -139.2 138.14 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.4 m -39.48 -59.04 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' THR . 51.3 mt-10 -33.95 -64.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -47.13 -57.38 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.7 t -43.27 -58.05 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 16.8 mtpp -51.84 -50.36 61.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -48.01 -44.13 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.744 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.39 -34.22 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 17.9 t80 -64.51 -36.89 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.8 t -89.86 -23.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.5 m -91.86 -60.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.744 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 25.6 mt -57.84 -55.03 40.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -44.64 107.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.06 16.55 35.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -96.99 153.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.29 132.88 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.98 134.56 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.8 t -76.61 107.97 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.43 175.54 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.33 -41.02 50.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -61.11 -29.37 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.63 9.61 30.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -100.37 144.31 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -84.45 98.81 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 114' ' ' THR . 13.1 mt -92.06 159.87 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 113' ' ' ILE . 11.4 m -109.92 97.9 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 16.2 mt -85.56 139.66 31.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 24.5 m-85 -107.66 170.54 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.0 mp -142.92 126.61 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.632 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.2 m-20 -118.99 137.36 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 39.1 m-85 -67.19 117.0 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' A' ' 37' ' ' THR . 2.7 m -118.63 153.54 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.22 -34.94 3.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -113.59 116.26 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.74 132.57 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.63 73.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.2 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 82' ' ' TYR . 96.0 mt . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -108.2 110.26 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 120' ' ' VAL . 24.8 p -114.82 138.57 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CE1' ' A' ' 40' ' ' TYR . 34.7 m -83.5 175.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -91.79 -45.56 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 38' ' ' VAL . 13.0 p90 -66.1 172.15 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.51 148.51 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 p -146.05 127.13 14.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -39.8 -32.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 120' ' ' VAL . 66.1 m -93.82 158.69 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD12 ' CE1' ' A' ' 87' ' ' TYR . 33.6 mt -149.19 158.88 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 10.7 p -124.0 121.33 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.07 117.3 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.93 163.05 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 28.4 m-20 50.16 26.12 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.79 -127.76 3.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 155.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.561 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.5 mt -43.98 -52.71 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.54 -30.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.6 m-20 -91.71 32.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.63 29.18 31.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -106.03 110.67 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -79.94 162.97 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' HD23 ' A' ' 74' ' ' LEU . 24.8 ttm180 -68.85 -38.73 79.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.3 t-20 -73.1 -6.98 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -108.31 -19.21 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 20.1 tp -102.09 -40.59 6.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.0 tp -56.65 -42.65 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.954 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -48.01 -47.76 18.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 HD22 ' A' ' 100' ' ' LEU . 42.5 t -67.77 -27.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 62' ' ' LEU . 15.7 mt -83.58 -15.45 49.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.64 -47.01 9.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -37.59 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' HD21 ' A' ' 100' ' ' LEU . 9.8 m -73.93 -57.71 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.01 -169.09 14.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 122.46 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -90.7 104.11 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.47 -34.68 54.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.31 129.09 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.6 tp -121.2 105.11 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.1 tp -89.38 126.32 35.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.4 mtp -127.39 98.14 29.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.04 29.5 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 143.17 49.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 60.73 32.19 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 20.7 mmtm -131.98 122.14 18.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 22.9 p90 -127.05 148.45 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.2 m -130.58 -179.98 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -133.74 129.76 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.14 145.83 41.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -126.24 114.7 18.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE1' HD12 ' A' ' 45' ' ' LEU . 71.7 m-85 -91.63 168.31 11.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -79.49 -35.37 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p -137.29 148.07 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' GLU . 6.1 m -52.89 -57.63 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.9 mt-10 -34.12 -53.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.75 -56.01 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -43.85 -52.63 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 98' ' ' VAL . 28.3 mtpt -56.07 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -50.61 -42.69 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.46 -31.01 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 17.3 t80 -68.61 -37.67 79.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 94' ' ' LYS . 11.3 t -89.87 -21.55 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.3 m -92.15 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 HG12 ' A' ' 64' ' ' VAL . 27.0 mt -55.8 -54.12 48.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 37.8 t-20 -41.63 110.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.42 35.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.7 0.286 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -98.8 120.41 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.98 130.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 t -69.06 114.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.64 -175.19 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.06 -42.33 85.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.47 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.67 13.63 18.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.53 144.45 32.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -81.33 102.85 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.12 152.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.7 m -103.48 93.18 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 14.4 mt -81.21 141.79 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.79 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 m-85 -108.48 170.91 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.44 126.27 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.483 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 17.0 m-80 -119.32 144.23 46.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CE1' HD21 ' A' ' 45' ' ' LEU . 34.4 m-85 -75.33 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' SER . 33.4 m -123.91 125.46 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.45 -40.43 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.8 ptmm? -139.09 168.01 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' LYS . 78.2 t -160.53 143.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.09 70.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 123' ' ' VAL . 83.7 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.1 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.787 0.327 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -98.26 121.37 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -124.42 133.94 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.28 -176.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -99.74 -48.88 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -60.0 169.31 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.52 138.89 43.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.7 p -138.33 130.01 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -42.73 -32.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB2' HG23 ' A' ' 120' ' ' VAL . 68.0 m -88.86 153.53 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD11 ' OG ' ' A' ' 93' ' ' SER . 51.1 mt -146.65 144.39 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 13.7 p -109.6 122.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.72 112.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -88.46 159.41 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 54.27 25.51 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.81 -126.86 2.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 157.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . 24.1 mt -45.42 -53.11 9.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.46 -32.85 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -90.7 34.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.91 21.44 3.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 18.4 t -96.49 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 111.094 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -79.59 154.67 28.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -58.05 -42.98 86.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 9.9 t-20 -73.05 -3.2 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.09 -22.07 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.6 tp -102.5 -39.56 7.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.35 -42.93 98.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.97 -36.78 28.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.48 HG12 HD22 ' A' ' 100' ' ' LEU . 33.6 t -81.2 -27.99 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.4 mt -81.59 -20.66 39.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 62' ' ' LEU . 6.8 mm-40 -87.36 -45.64 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HE3' HG13 ' A' ' 64' ' ' VAL . 10.6 pttp -52.02 -38.69 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.17 -56.15 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.02 -168.07 13.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.51 134.99 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.38 109.92 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.36 -52.17 10.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.04 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.66 99.33 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 21.1 tp -79.88 124.12 28.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 78.9 mtp -129.13 96.83 27.59 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.546 0.689 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.73 140.38 42.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.38 62.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 t30 51.94 37.76 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -133.92 121.25 15.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.6 p90 -123.07 154.44 38.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.7 m -137.71 -179.45 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.479 ' CG ' HG11 ' A' ' 123' ' ' VAL . 64.9 m-85 -141.54 118.63 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.26 151.17 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.2 ttt180 -127.6 114.69 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 45' ' ' LEU . 58.4 m-85 -87.93 177.81 6.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -89.01 -46.62 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 60.1 p -125.58 126.61 45.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.587 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -33.67 -52.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.0 mt-10 -37.58 -54.17 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.92 -55.18 35.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.507 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.4 t -47.24 -52.63 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 90' ' ' THR . 21.2 mtmt -56.4 -50.53 71.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -48.37 -41.62 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -78.89 -34.5 44.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.701 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.3 t80 -64.19 -36.52 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t -89.5 -19.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -99.11 -64.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.791 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -54.07 -48.21 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.5 t-20 -51.69 122.21 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.92 -17.69 55.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -74.26 154.56 38.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -104.94 151.52 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.01 145.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.64 112.15 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -75.89 -177.29 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.13 -39.06 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.02 -28.69 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.52 16.49 20.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -110.25 149.47 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -81.5 115.07 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.84 143.7 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.3 m -94.45 113.35 25.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.6 142.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.407 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.3 m-85 -118.75 120.59 37.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.48 128.27 43.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.489 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 15.6 m-80 -119.73 145.59 46.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 27.8 m-85 -74.72 119.64 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 44' ' ' SER . 27.0 m -115.48 130.92 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.85 -41.05 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -134.22 157.68 45.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 125' ' ' TRP . 97.8 t -156.8 130.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.08 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.542 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 95.4 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 82' ' ' TYR . 65.2 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.43 120.24 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 120' ' ' VAL . 15.0 p -121.67 134.31 54.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 40' ' ' TYR . 26.7 m -78.53 -175.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t -104.27 -42.75 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.632 ' CE1' HG21 ' A' ' 38' ' ' VAL . 9.7 p90 -63.73 174.39 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 133.52 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.5 p -131.83 146.73 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -62.06 -18.2 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -105.26 152.03 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 119' ' ' PHE . 42.5 mt -142.01 162.9 34.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.2 p -126.08 120.34 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.31 116.93 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.7 160.7 15.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.88 24.97 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . -125.9 -126.38 2.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 153.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -42.83 -49.66 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.87 -35.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 3.8 m120 -85.99 27.83 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 58.32 17.28 31.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.0 t -96.81 103.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -74.86 165.18 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -68.7 -39.49 80.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.93 -4.59 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -108.23 -16.94 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.8 tp -107.74 -39.55 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.8 tp -56.43 -42.84 98.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.0 Cg_exo -48.07 -38.13 31.56 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 t -79.82 -27.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 100' ' ' LEU . 37.1 mt -79.34 -16.74 55.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -89.84 -46.54 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.65 -32.62 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 m -83.64 -53.85 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.82 166.58 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.97 130.51 43.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.3 t -99.01 105.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.22 -51.63 29.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.98 127.35 9.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 tp -115.19 109.31 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 84' ' ' PHE . 18.2 tp -89.29 126.38 35.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.4 mtp -129.02 96.96 27.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.542 0.686 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.78 134.48 28.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 141.67 45.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.26 35.11 18.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 37.5 mmtt -134.96 123.77 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.9 Cg_endo -69.67 -6.75 19.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 35' ' ' ILE . 28.9 p90 -120.29 152.74 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -139.32 177.19 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.563 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.4 m-85 -133.5 138.06 45.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.78 145.07 49.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.513 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.9 ttt85 -123.47 108.63 12.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -80.25 164.53 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.34 -28.22 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -136.74 134.78 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 m -47.64 -50.13 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 15.4 pt-20 -42.93 -44.18 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 86.2 mt-10 -64.42 -56.01 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 t -43.89 -51.77 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -58.75 -50.98 71.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.407 HH11 ' CB ' ' A' ' 95' ' ' ARG . 3.5 ttm105 -49.8 -46.3 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.6 -34.14 69.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 28.5 t80 -63.32 -37.6 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.04 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.8 m -93.75 -62.07 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.6 mt -57.16 -49.81 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 49.9 t-20 -51.43 125.98 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.65 -12.74 58.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -72.94 157.43 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.06 136.69 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 115' ' ' LEU . 26.8 m -134.75 146.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 110' ' ' GLY . 30.9 t -88.22 109.0 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.06 -179.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.36 -36.89 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.85 -30.68 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.462 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 104.5 15.99 19.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -106.11 150.84 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -83.56 116.86 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.11 140.05 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.5 m -94.24 109.75 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 105' ' ' VAL . 11.1 mt -94.72 140.38 29.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -113.94 117.39 31.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 100' ' ' LEU . 6.9 mp -96.06 127.1 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m120 -118.97 153.56 34.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 40.2 m-85 -80.45 121.94 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 HG22 ' A' ' 37' ' ' THR . 11.1 m -121.62 156.58 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 9.9 pt-20 -120.61 -32.39 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.53 121.17 43.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -144.54 125.1 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.22 72.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.5 m95 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' CD2' ' A' ' 82' ' ' TYR . 74.3 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -102.06 122.83 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.9 p -122.12 144.08 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 42' ' ' THR . 29.3 m -90.53 -179.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.5 t -103.09 -41.98 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 22.8 p90 -68.68 166.52 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -66.8 139.74 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 38' ' ' VAL . 72.2 p -141.16 129.61 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -46.85 -28.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -96.15 147.77 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 87' ' ' TYR . 47.5 mt -139.17 156.55 47.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.4 p -120.85 118.28 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.16 118.07 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.49 165.13 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.515 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 93.5 m-20 48.25 26.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.07 -126.8 2.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.573 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.78 156.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.8 mt -44.0 -51.14 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.05 -34.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.515 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.0 m-20 -88.42 32.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.77 23.33 14.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.1 103.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -74.25 167.68 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' HD23 ' A' ' 74' ' ' LEU . 35.3 ttm180 -69.13 -41.42 77.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t30 -74.13 -2.96 26.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -108.17 -17.87 13.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 27.0 tp -108.21 -38.67 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.9 tp -56.8 -42.68 97.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.975 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.92 -37.34 29.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 100' ' ' LEU . 47.5 t -78.62 -29.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.0 mt -80.41 -24.68 39.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -79.39 -47.14 16.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.558 ' HE2' HG13 ' A' ' 64' ' ' VAL . 17.1 pttt -53.37 -39.47 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 m -77.26 -56.74 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.8 172.84 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.9 116.39 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG21 HD12 ' A' ' 62' ' ' LEU . 92.4 t -84.6 104.74 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.54 -34.38 47.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.64 122.89 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.3 tp -116.4 101.61 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 84' ' ' PHE . 24.8 tp -84.74 124.99 32.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 69.3 mtp -126.92 98.52 30.56 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.83 134.99 29.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 141.65 45.61 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.66 40.6 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 31.1 mmtp -138.55 123.97 12.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.84 -1.93 9.38 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.5 p90 -127.05 152.84 46.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -138.56 176.8 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 75' ' ' LEU . 51.8 m-85 -132.38 133.4 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.02 156.26 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 8.7 ttp180 -134.95 118.32 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.453 ' CE1' HD12 ' A' ' 45' ' ' LEU . 56.2 m-85 -91.34 171.6 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -84.49 -26.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -140.64 146.68 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -57.18 -54.86 41.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 17.2 pt-20 -38.42 -48.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 7.0 mm-40 -61.89 -56.56 18.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -43.3 -50.15 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -58.65 -48.18 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -49.59 -40.38 38.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.86 -33.58 52.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.7 t80 -64.88 -37.42 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 t -88.0 -19.8 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.163 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.2 m -98.6 -62.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.835 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 31.9 mt -54.41 -48.49 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.0 t-20 -54.61 119.44 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.2 -8.44 77.6 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -79.88 149.54 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.21 146.3 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.32 138.05 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.482 HG23 ' CE ' ' A' ' 112' ' ' LYS . 23.8 t -78.34 111.3 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 5.5 p30 -67.42 -176.46 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -38.17 83.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.442 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 27.3 mt -65.57 -30.84 71.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 111.65 15.25 10.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -105.3 146.95 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.482 ' CE ' HG23 ' A' ' 106' ' ' VAL . 21.4 mmtp -84.77 125.44 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -118.21 147.4 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.6 m -98.82 102.35 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -88.47 150.51 23.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.4 m-85 -125.6 117.84 24.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.444 ' O ' ' ND2' ' A' ' 101' ' ' ASN . 7.2 mp -96.05 125.56 40.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.97 141.78 48.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.497 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 25.9 m-85 -67.7 125.88 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 144.3 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -107.3 -32.71 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -110.56 129.2 55.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' TRP . 58.2 t -151.96 121.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -60.65 77.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.579 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.7 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' A' ' 82' ' ' TYR . 97.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -112.12 121.47 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.584 HG21 ' HB3' ' A' ' 118' ' ' ASN . 27.0 p -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.93 -179.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -98.01 -46.78 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' A' ' 42' ' ' THR . 25.5 p90 -64.46 171.64 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 124.63 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 20.6 p -114.02 154.07 28.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.58 -16.39 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -111.34 154.65 24.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HE2' ' A' ' 87' ' ' TYR . 83.6 mt -138.44 160.36 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.3 p -123.5 117.49 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.06 121.31 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.44 161.73 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.475 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 90.0 m-20 49.82 25.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -124.4 -127.21 3.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.15 153.17 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.41 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.3 mt -43.45 -49.98 7.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.05 -36.32 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.5 m-20 -84.47 28.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 56.71 22.1 38.77 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.27 106.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.2 m -79.19 155.76 28.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HG3' HD23 ' A' ' 74' ' ' LEU . 7.9 ttp-105 -59.43 -42.18 91.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t30 -71.16 -2.97 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -108.09 -26.46 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.0 tp -97.39 -39.82 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.2 tp -56.24 -43.02 99.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.91 -35.21 24.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.577 HG12 HD22 ' A' ' 100' ' ' LEU . 39.7 t -81.03 -28.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 100' ' ' LEU . 44.6 mt -80.08 -19.85 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.21 -47.1 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -38.03 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.7 m -71.65 -61.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.86 -176.71 23.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.51 125.91 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.0 t -94.99 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.46 -54.71 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.66 126.32 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 58' ' ' ARG . 17.2 tp -111.12 100.49 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 25.8 tp -80.97 120.87 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -124.01 96.72 41.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.5 Cg_endo -69.64 134.41 28.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.412 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.52 45.47 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 62.06 34.04 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 29.1 mmtt -132.47 124.1 18.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -4.3 13.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 35' ' ' ILE . 19.5 p90 -125.13 159.32 31.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -140.81 177.72 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -135.21 122.88 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.12 141.79 42.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.537 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 21.5 ttp180 -118.27 114.48 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.548 ' HE2' HD12 ' A' ' 45' ' ' LEU . 45.9 m-85 -88.95 154.97 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.66 -36.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.4 p -136.64 132.2 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.8 m -38.69 -53.13 1.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 90' ' ' THR . 4.6 mt-10 -34.38 -55.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.7 -56.59 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.453 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 40.6 t -43.31 -52.71 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -57.18 -50.6 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -51.94 -41.48 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.692 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.57 -32.75 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 22.8 t80 -66.29 -37.9 86.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.1 t -90.03 -18.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.0 m -97.25 -63.35 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.692 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -56.13 -49.32 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.8 t-20 -52.37 122.53 8.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.43 1.27 89.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -83.63 150.41 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -93.87 130.14 40.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.33 134.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 82.3 t -77.34 123.69 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.49 -174.92 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -53.56 -43.8 68.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.93 -28.94 69.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.59 6.8 40.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -93.06 151.33 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.67 108.59 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 mt -103.81 148.6 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.4 m -102.74 99.44 9.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.95 141.48 31.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -113.94 119.58 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 100' ' ' LEU . 8.3 mp -96.14 129.18 43.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 37' ' ' THR . 34.4 m-20 -121.32 149.03 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 45' ' ' LEU . 36.0 m-85 -75.77 114.6 14.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.0 m -117.08 138.39 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 6.8 pt-20 -103.72 -36.27 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 121' ' ' GLU . 28.6 mmtp -107.69 117.79 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.42 ' HB ' ' NE1' ' A' ' 125' ' ' TRP . 89.3 t -139.7 133.77 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 70.71 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.7 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.46 121.01 41.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 118' ' ' ASN . 35.0 p -117.55 131.88 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.7 m -79.35 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -88.62 -42.01 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 51.7 p90 -65.69 157.32 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.47 141.17 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.47 HG21 HG21 ' A' ' 38' ' ' VAL . 57.6 p -142.65 137.08 29.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -51.15 -39.54 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -83.42 154.21 24.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -145.95 155.76 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.3 p -117.47 121.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.87 112.74 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.89 160.73 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 76.8 m-20 50.83 30.15 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -130.18 -127.27 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.51 155.53 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.401 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -43.19 -51.15 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.386 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.17 -35.15 1.03 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.9 m-20 -88.08 34.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.58 28.66 10.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 38.3 t -105.11 105.0 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -77.71 156.89 30.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' HD23 ' A' ' 74' ' ' LEU . 27.8 ttt180 -59.54 -41.17 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t-20 -74.12 -4.04 33.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -108.19 -16.34 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 30.6 tp -108.98 -39.42 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.38 -42.83 98.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.06 -40.52 33.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 HD22 ' A' ' 100' ' ' LEU . 33.0 t -76.91 -27.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 62' ' ' LEU . 12.0 mt -82.18 -15.89 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.74 -40.62 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -58.1 -34.64 70.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' HD21 ' A' ' 100' ' ' LEU . 2.9 m -75.08 -50.45 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.49 -155.17 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.6 129.92 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.57 109.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.52 -46.02 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.56 130.05 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 ' HG3' ' A' ' 58' ' ' ARG . 27.1 tp -116.09 107.18 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 21.0 tp -87.58 123.24 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -126.25 95.28 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.677 . . . . 0.0 110.925 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.75 136.5 33.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.62 48.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 58.78 37.01 25.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -135.11 120.97 14.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.529 0.681 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.25 6.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.49 151.53 49.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -136.13 173.77 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.477 ' CB ' HG11 ' A' ' 123' ' ' VAL . 45.2 m-85 -132.54 121.66 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.44 148.95 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.5 ttt180 -123.85 117.01 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -89.79 159.66 16.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD3' ' CG2' ' A' ' 89' ' ' THR . 3.9 tmt_? -73.34 -38.95 65.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' ' HD3' ' A' ' 88' ' ' ARG . 11.0 p -131.21 139.45 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -46.01 -54.46 8.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.91 -57.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.1 -56.75 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -45.91 -58.37 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.09 -50.25 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -48.33 -46.83 36.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.02 -32.95 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.672 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 19.8 t80 -65.92 -39.57 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -90.16 -16.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m -97.18 -60.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 64' ' ' VAL . 35.5 mt -60.02 -53.4 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.1 t-20 -44.56 125.31 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.0 -31.1 6.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -62.83 155.78 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -102.83 137.84 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 115' ' ' LEU . 8.6 m -127.88 130.49 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.32 105.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.84 -178.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.1 -38.96 84.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.2 -20.99 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.84 20.22 22.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -108.5 145.87 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -80.77 110.89 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.8 mt -106.32 147.15 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 m -99.81 106.76 18.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 105' ' ' VAL . 13.7 mt -96.43 137.14 35.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -113.39 122.97 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.437 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.4 mp -97.19 129.15 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.497 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -120.82 143.46 48.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 34.5 m-85 -72.23 126.59 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.34 164.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.08 -37.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -107.7 119.36 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.2 t -146.01 129.26 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.63 76.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.507 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.2 m95 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.9 106.25 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 120' ' ' VAL . 61.6 p -100.47 144.06 29.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.3 m -86.09 172.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -90.65 -49.56 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' OH ' HG11 ' A' ' 38' ' ' VAL . 13.5 p90 -59.84 162.47 5.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -77.58 126.76 31.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -120.16 164.04 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -72.02 -23.7 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 120' ' ' VAL . 0.8 OUTLIER -100.78 147.13 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 87' ' ' TYR . 38.4 mt -135.75 161.69 34.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.9 p -126.42 121.47 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.35 115.44 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.6 151.9 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 60.96 25.96 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.61 -126.1 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.4 156.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -43.77 -51.39 7.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.87 -32.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.4 m-20 -91.65 34.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.37 29.14 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.31 106.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -79.85 161.37 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' HD23 ' A' ' 74' ' ' LEU . 33.5 ttm180 -64.45 -40.07 95.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 48.8 m-20 -73.94 -3.82 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -108.18 -18.03 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 19.5 tp -107.13 -39.05 5.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.83 -42.59 97.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.4 Cg_exo -47.97 -38.39 31.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.75 2.3 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 HD22 ' A' ' 100' ' ' LEU . 45.5 t -79.73 -32.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 100' ' ' LEU . 34.8 mt -77.21 -13.06 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.23 -42.38 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -59.14 -38.66 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' A' ' 100' ' ' LEU . 8.1 m -71.31 -45.55 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.8 -160.05 10.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.21 125.94 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.54 106.46 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.72 -48.46 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.64 125.7 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.1 tp -115.83 103.79 11.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.85 127.61 34.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 63.8 mtp -130.13 96.54 25.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.8 Cg_endo -69.73 137.17 34.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 146.01 59.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.63 33.47 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -132.29 120.43 17.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.89 0.42 5.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -126.05 149.19 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -131.49 178.82 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 46' ' ' VAL . 66.0 m-85 -138.14 126.31 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.93 149.52 33.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -126.72 102.03 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' HD12 ' A' ' 45' ' ' LEU . 53.9 m-85 -76.21 157.41 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.446 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.3 -37.39 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.446 HG22 ' HD3' ' A' ' 88' ' ' ARG . 6.3 p -133.8 143.35 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -49.02 -53.23 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -38.68 -64.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.89 -56.41 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 t -42.46 -56.69 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 38.4 mtpt -53.35 -50.27 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -47.09 -40.73 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.747 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.02 -35.63 42.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.4 t80 -62.7 -35.29 79.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -90.01 -20.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -97.63 -63.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.747 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 20.2 mt -54.09 -44.64 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 42.9 t-20 -56.33 113.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.08 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -78.55 157.75 28.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -106.01 134.04 49.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 105' ' ' VAL . 5.1 m -132.02 125.52 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.49 109.18 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -178.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -42.43 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -25.32 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.96 14.66 24.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -106.56 142.29 36.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -82.18 125.83 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.3 mt -122.14 143.27 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.3 m -91.88 111.14 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.32 135.66 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.409 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 m-85 -110.38 125.59 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.6 mp -99.28 129.1 45.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.585 ' HB3' HG21 ' A' ' 37' ' ' THR . 9.1 m120 -121.18 140.68 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.4 m-85 -69.5 122.95 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 37' ' ' THR . 24.0 m -126.7 146.46 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.44 -38.34 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -107.91 125.66 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 96.4 t -141.68 144.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.31 66.21 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 93.7 m95 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -100.28 127.37 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 118' ' ' ASN . 6.6 p -123.46 144.24 49.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.9 179.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -98.95 -46.92 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -62.25 159.31 15.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 136.93 56.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.9 p -132.78 136.3 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -51.55 -28.66 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 86' ' ' ARG . 7.2 m -97.43 161.36 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -147.31 166.11 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.9 p -129.86 115.66 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.71 122.71 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.54 163.68 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 47.74 27.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.01 -129.85 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.37 156.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 55' ' ' GLY . 18.3 mt -44.95 -52.54 8.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.899 0.38 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.0 0.33 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.9 t-20 -91.66 36.54 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 47.64 32.85 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ASN . 40.7 t -107.65 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -78.61 158.11 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.623 ' HG3' HD23 ' A' ' 74' ' ' LEU . 23.9 ttp85 -63.5 -39.54 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.6 m-20 -74.46 -5.2 41.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -108.15 -15.0 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.0 tp -109.43 -40.02 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.0 tp -55.92 -43.09 99.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.6 Cg_exo -47.94 -43.0 30.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.571 HG12 HD22 ' A' ' 100' ' ' LEU . 27.9 t -71.61 -28.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.4 mt -81.51 -19.28 42.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.2 -47.39 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -34.72 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.468 ' SG ' HD21 ' A' ' 100' ' ' LEU . 5.3 m -78.64 -50.01 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.89 -175.92 28.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 47.7 mt -76.97 134.08 38.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -105.88 109.45 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.35 -51.91 10.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 127.52 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.0 tp -111.55 108.4 17.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 24.9 tp -85.21 127.23 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 mtp -130.04 94.8 30.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.6 30.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.758 2.305 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.83 46.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 59.63 37.43 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HZ2' ' HG3' ' A' ' 80' ' ' LYS . 24.1 mmtp -135.69 121.07 13.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.0 Cg_endo -69.83 0.73 5.27 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CD2' HD11 ' A' ' 35' ' ' ILE . 11.4 p90 -130.77 147.98 52.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.0 m -131.08 176.09 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 46' ' ' VAL . 58.3 m-85 -134.08 125.21 27.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.73 150.08 28.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt85 -125.94 102.95 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -76.29 156.13 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -74.16 -30.13 62.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -137.21 144.13 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 m -52.74 -59.36 4.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 39.9 mt-10 -34.44 -60.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.404 ' OE1' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -50.31 -54.53 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -46.07 -59.64 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -50.69 -51.63 47.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -47.27 -42.17 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.08 -33.17 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.8 t80 -65.29 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.57 -17.88 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.0 m -100.85 -62.81 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.86 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 29.1 mt -53.88 -49.01 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 116' ' ' TYR . 54.2 t-20 -54.25 109.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.07 -19.76 42.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.97 148.19 47.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -91.36 142.55 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 115' ' ' LEU . 4.8 m -139.46 138.32 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.74 116.34 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -74.16 177.27 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.63 -31.35 64.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.0 -30.26 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.81 20.98 8.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.11 150.95 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -81.55 125.53 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.55 141.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -93.23 106.24 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -97.64 135.28 39.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.496 ' CD2' ' OD1' ' A' ' 101' ' ' ASN . 34.6 m-85 -112.07 127.49 55.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 100' ' ' LEU . 7.0 mp -102.96 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.442 ' HB3' HG21 ' A' ' 37' ' ' THR . 11.9 m-80 -119.38 143.76 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.8 m-85 -70.37 127.1 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -128.31 150.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.48 -34.1 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -116.25 122.55 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.28 130.95 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -66.01 76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.8 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.811 0.338 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -115.5 125.4 53.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.675 HG21 ' CB ' ' A' ' 118' ' ' ASN . 33.1 p -115.95 151.29 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 16.9 m -84.81 -179.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -94.07 -47.56 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -64.7 161.06 18.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.5 147.02 53.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' SER . 29.6 p -142.39 126.53 17.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -38.15 -31.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.4 p -95.1 157.67 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 87' ' ' TYR . 50.1 mt -147.01 151.95 37.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.61 ' HB ' HG11 ' A' ' 120' ' ' VAL . 14.9 p -115.99 120.98 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.2 122.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -95.75 159.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.0 m-20 53.71 26.23 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.81 -127.4 3.08 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 156.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.515 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -43.66 -50.85 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.25 -34.79 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.493 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -87.54 32.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 53.26 19.63 8.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.445 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' ASN . 64.8 t -97.41 106.99 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m -80.69 159.59 25.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' HD23 ' A' ' 74' ' ' LEU . 28.0 ttp180 -60.8 -42.07 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.2 t-20 -74.56 -3.46 31.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.13 -16.11 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 26.0 tp -110.04 -38.56 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.94 -42.75 97.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.5 Cg_exo -47.95 -36.94 28.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 100' ' ' LEU . 44.4 t -79.7 -30.41 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.7 mt -79.3 -14.96 58.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.96 -46.03 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.95 45.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -82.05 -69.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.57 -178.94 15.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -77.16 131.55 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG21 HD12 ' A' ' 62' ' ' LEU . 57.6 t -100.0 103.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.29 -53.9 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.46 123.58 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD23 ' HG3' ' A' ' 58' ' ' ARG . 20.3 tp -109.89 101.75 10.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 27.0 tp -82.62 125.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtp -127.53 95.73 34.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.63 30.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 142.92 49.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.632 2.221 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.83 36.95 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 43.8 mmtt -136.11 122.67 14.1 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.685 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.8 12.79 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 36.3 p90 -122.18 155.97 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.9 m -142.22 170.51 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.1 m-85 -127.86 136.97 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.08 153.07 40.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 5.0 ttt180 -130.19 106.19 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CE1' HD12 ' A' ' 45' ' ' LEU . 48.0 m-85 -78.86 158.56 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -74.48 -26.41 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -139.81 149.08 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -59.85 -49.7 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 10.1 pt-20 -44.16 -48.11 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 37.2 mm-40 -59.4 -57.58 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -41.47 -54.22 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 98' ' ' VAL . 14.6 mtpp -56.19 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -50.02 -39.62 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.785 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.61 -34.5 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 23.0 t80 -63.98 -35.5 80.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' LYS . 9.4 t -89.9 -19.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -98.62 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.785 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 19.7 mt -54.42 -48.14 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.4 t-20 -54.35 120.58 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.23 -9.86 76.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -76.8 146.34 37.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -94.25 134.72 36.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 115' ' ' LEU . 23.5 m -134.32 131.07 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG13 ' HA2' ' A' ' 110' ' ' GLY . 19.5 t -74.94 108.97 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.63 175.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.13 -32.59 55.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.95 -34.25 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.441 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 113.52 10.0 15.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -102.77 141.07 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.967 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -78.39 121.06 24.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.0 mt -117.65 140.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 m -91.07 104.64 17.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -88.8 139.16 30.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 31.8 m-85 -116.54 121.81 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.8 mp -101.6 128.96 47.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.675 ' CB ' HG21 ' A' ' 37' ' ' THR . 7.9 m120 -119.01 151.98 37.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 45' ' ' LEU . 17.0 m-85 -78.46 108.18 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.648 HG12 HG22 ' A' ' 37' ' ' THR . 20.4 m -104.26 134.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.475 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 4.3 pt-20 -87.67 -43.26 12.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -123.77 139.8 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 87.0 t -140.99 141.98 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -74.76 74.97 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 98.9 m95 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' CD2' ' A' ' 82' ' ' TYR . 79.5 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.17 118.96 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.1 p -114.81 146.98 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OH ' ' A' ' 40' ' ' TYR . 12.2 m -91.51 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -98.31 -31.83 11.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 38' ' ' VAL . 24.0 p90 -76.11 174.45 10.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.58 138.76 36.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.8 p -139.57 129.51 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -42.27 -34.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.4 m -89.66 153.26 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -142.75 160.06 41.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.2 p -122.52 118.56 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.63 116.29 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.25 158.26 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.471 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.7 m-20 53.68 26.42 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.28 -127.24 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 157.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.467 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.9 mt -44.48 -51.05 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.24 -34.33 0.94 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.7 m-20 -89.72 33.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.14 35.85 27.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 54' ' ' ASN . 76.5 t -112.31 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -76.1 161.69 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.594 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.8 ttp85 -65.93 -42.1 90.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 25.1 t-20 -73.34 -3.94 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.18 -19.43 13.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 56' ' ' VAL . 17.2 tp -105.02 -39.38 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -56.76 -42.69 97.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -47.97 -37.46 29.64 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.6 HG12 HD22 ' A' ' 100' ' ' LEU . 47.2 t -78.36 -27.66 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 54.9 mt -80.85 -18.58 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.4 -46.52 9.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -53.41 -30.92 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -85.79 -59.38 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.39 176.14 23.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.78 119.99 21.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.19 105.08 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.98 -42.93 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.89 123.96 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.594 HD23 ' HG3' ' A' ' 58' ' ' ARG . 12.7 tp -107.91 105.99 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 125' ' ' TRP . 16.7 tp -87.43 122.5 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 71.6 mtp -125.07 97.42 37.96 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.599 0.714 . . . . 0.0 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.82 137.69 35.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 143.92 52.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.603 2.202 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 54.77 41.41 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -138.47 122.69 11.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.529 0.68 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.32 13.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD2' HD11 ' A' ' 35' ' ' ILE . 34.9 p90 -122.35 158.53 29.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.2 m -143.64 178.71 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.411 ' CG ' HG11 ' A' ' 123' ' ' VAL . 43.4 m-85 -138.05 136.1 36.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.31 151.99 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.3 ttt180 -129.92 112.69 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -81.53 179.27 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -92.41 -31.33 15.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -136.32 135.86 39.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -43.79 -56.95 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' THR . 26.2 mm-40 -37.45 -51.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -55.6 -59.82 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -41.82 -55.83 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 98' ' ' VAL . 5.0 mtpm? -53.95 -49.09 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -49.74 -42.96 47.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.771 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.2 -37.63 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.1 t80 -61.45 -37.17 82.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 94' ' ' LYS . 4.6 t -90.05 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.8 m -96.58 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.771 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 37.6 mt -54.92 -48.77 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 43.3 t-20 -51.55 124.45 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.07 55.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.54 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -73.21 156.36 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -103.28 135.88 44.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -132.27 136.69 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.45 107.61 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.21 177.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.94 -46.0 71.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.54 -28.59 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.01 5.8 28.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.573 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -99.78 144.25 29.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -77.73 134.08 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -126.94 147.92 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.2 m -98.19 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 13.2 mt -95.46 133.32 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -105.29 120.99 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.19 127.81 42.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.482 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 27.0 m-80 -119.61 146.4 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 37.4 m-85 -73.21 129.44 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.9 m -125.95 131.41 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.14 -34.48 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -138.9 159.35 42.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 124' ' ' GLN . 81.4 t -155.32 153.28 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.421 ' N ' HG12 ' A' ' 123' ' ' VAL . 5.3 pt20 -80.82 59.08 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.4 m95 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 82' ' ' TYR . 88.2 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -100.81 113.28 26.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.418 HG22 HG12 ' A' ' 120' ' ' VAL . 22.3 p -112.3 146.16 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.29 -178.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 t -99.77 -48.74 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -60.8 155.6 19.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 145.1 46.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -149.32 126.29 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -41.55 -29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 120' ' ' VAL . 4.2 m -91.05 144.4 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 119' ' ' PHE . 54.0 mt -140.86 145.49 36.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 46' ' ' VAL . 10.7 p -108.16 117.44 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.82 116.37 26.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.82 158.59 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.6 m-20 53.64 26.56 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.92 -127.99 3.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 158.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -44.78 -51.99 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.01 -33.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.6 m-20 -89.34 32.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.55 27.13 17.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 61' ' ' LEU . 35.5 t -104.03 104.61 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -79.88 158.0 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.96 -40.62 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.2 t-20 -74.1 -6.3 46.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.18 -15.74 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 56' ' ' VAL . 14.7 tp -107.39 -39.66 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -56.92 -42.65 97.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.02 -35.63 25.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.809 HG13 ' HE2' ' A' ' 67' ' ' LYS . 45.6 t -80.8 -31.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 100' ' ' LEU . 21.2 mt -79.73 -12.53 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.56 -43.28 11.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.809 ' HE2' HG13 ' A' ' 64' ' ' VAL . 3.6 pttm -62.85 -34.97 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.2 m -74.88 -45.85 40.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.57 -177.74 36.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 mt -75.93 123.17 25.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 62' ' ' LEU . 97.6 t -91.4 104.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.96 -51.14 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.08 121.91 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.86 100.99 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.493 HD23 ' HD2' ' A' ' 84' ' ' PHE . 26.7 tp -81.3 121.93 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.0 mtp -124.51 95.91 42.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.75 138.48 37.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.22 37.56 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 22.5 mmtp -135.34 121.4 14.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -5.0 15.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.3 p90 -120.54 155.04 34.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -142.24 169.91 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' HD2' HD23 ' A' ' 75' ' ' LEU . 26.4 m-85 -128.07 122.97 33.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.64 138.82 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt180 -117.03 123.0 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.0 m-85 -93.96 -177.53 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -96.97 -34.2 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 65.0 p -137.17 125.9 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -33.56 -56.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' THR . 15.9 mm-40 -35.6 -50.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -61.49 -49.02 78.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.5 t -52.28 -53.95 37.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.4 mtmt -54.78 -48.69 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -49.94 -45.53 51.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -72.6 -33.48 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.498 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 25.7 t80 -65.04 -39.52 93.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.989 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.11 -19.31 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.1 m -95.33 -63.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.681 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 27.2 mt -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.1 t-20 -47.67 120.95 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 114' ' ' THR . . . 92.41 -27.33 10.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.96 156.41 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.74 0.305 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -105.04 138.92 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 115' ' ' LEU . 14.9 m -136.64 138.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 ' HA2' ' A' ' 110' ' ' GLY . 43.2 t -77.0 113.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.07 -178.56 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -54.15 -41.85 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.2 -27.95 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 106.38 7.05 35.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -99.87 138.22 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -74.65 129.13 37.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.6 mt -123.85 144.38 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' GLY . 6.9 m -90.45 109.3 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.639 HD11 HG21 ' A' ' 105' ' ' VAL . 10.9 mt -96.05 135.27 38.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.5 120.37 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 100' ' ' LEU . 8.4 mp -98.16 128.48 44.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 3.9 m120 -119.51 139.83 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.498 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.2 m-85 -66.34 124.05 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' SER . 35.4 m -126.6 144.97 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -108.04 -31.75 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -118.16 127.58 53.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.14 130.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.88 73.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 96.8 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.8 127.57 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.572 HG21 ' HB3' ' A' ' 118' ' ' ASN . 41.7 p -121.39 138.4 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.1 m -79.82 174.26 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -95.41 -44.35 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 38' ' ' VAL . 23.2 p90 -62.68 166.95 4.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -71.17 143.1 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 p -139.64 146.38 39.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.56 -27.95 69.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -96.01 154.15 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' HE1' ' A' ' 87' ' ' TYR . 66.1 mt -144.49 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.5 p -105.22 118.03 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -84.47 113.88 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.36 166.6 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 46.71 26.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.55 -128.62 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 154.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -43.07 -53.63 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 t-20 -90.94 35.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.69 35.34 23.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ASN . 68.2 t -111.54 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -82.65 156.37 23.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -62.52 -39.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -71.89 -7.56 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.1 -21.37 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.0 tp -98.86 -40.83 7.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.73 -42.77 98.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -48.06 -39.66 33.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.296 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 100' ' ' LEU . 35.0 t -77.75 -29.4 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.4 mt -81.22 -19.57 42.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 32.7 mt-10 -83.76 -45.01 13.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -54.01 -33.17 56.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' HD21 ' A' ' 100' ' ' LEU . 34.2 m -80.89 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.03 -175.72 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.81 126.86 32.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -94.93 107.01 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 1.1 p30 -79.16 -48.11 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -148.09 124.85 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -117.18 107.99 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 84' ' ' PHE . 20.0 tp -88.84 123.09 32.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.0 mtp -124.73 95.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.57 25.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.53 42.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 63.49 33.41 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 67.0 mmtt -134.02 122.32 16.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 52.7 Cg_endo -69.87 -1.58 8.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 24.7 p90 -125.84 151.01 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.948 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 m -137.1 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 75' ' ' LEU . 52.9 m-85 -132.06 129.56 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.97 144.48 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -122.96 118.09 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.555 ' HE1' HD12 ' A' ' 45' ' ' LEU . 61.1 m-85 -90.3 167.42 12.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -78.5 -40.47 35.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.3 p -127.83 147.08 50.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 m -52.02 -57.31 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' THR . 28.4 mt-10 -35.92 -58.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -48.01 -60.56 2.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -40.09 -58.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 37.8 mtpt -52.14 -51.15 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -48.46 -45.68 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.654 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 24.5 t80 -67.15 -37.92 84.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.3 -21.67 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.9 m -92.96 -63.91 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 64' ' ' VAL . 28.2 mt -55.21 -53.16 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.0 t-20 -48.89 122.23 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 114' ' ' THR . . . 93.16 -24.27 25.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -69.02 154.22 42.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -100.12 140.65 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 115' ' ' LEU . 6.3 m -137.54 139.72 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.9 108.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.652 ' OD2' HD12 ' A' ' 113' ' ' ILE . 10.1 m-20 -72.56 176.03 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -52.48 -32.53 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.36 -29.42 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.62 12.3 30.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -111.91 141.41 45.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -74.6 123.29 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.652 HD12 ' OD2' ' A' ' 107' ' ' ASP . 8.4 mt -120.71 140.32 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 102' ' ' GLY . 13.1 m -90.41 104.41 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -88.1 149.09 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.442 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.6 m-85 -120.65 118.26 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.93 128.44 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.572 ' HB3' HG21 ' A' ' 37' ' ' THR . 5.5 m120 -119.29 142.96 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.654 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 25.2 m-85 -69.9 116.16 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.615 HG23 ' HB2' ' A' ' 44' ' ' SER . 29.6 m -117.25 150.24 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.47 -37.18 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -113.37 121.33 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.417 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.4 t -140.51 128.49 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.26 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.44 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 95.2 m95 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 82' ' ' TYR . 65.7 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -99.25 115.89 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.669 HG22 HG12 ' A' ' 120' ' ' VAL . 43.9 p -122.03 132.64 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG13 ' HG2' ' A' ' 121' ' ' GLU . 33.8 m -82.22 177.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t -95.4 -41.63 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -72.28 158.09 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -55.83 151.36 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 p -149.65 136.82 19.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -45.82 -44.01 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.58 156.2 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.702 HD11 ' OG ' ' A' ' 93' ' ' SER . 39.9 mt -146.96 142.0 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 46' ' ' VAL . 7.1 p -105.15 120.54 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.43 107.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.742 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -81.9 167.84 18.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 47.8 25.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.31 -129.19 3.17 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.452 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 152.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -42.12 -50.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.57 -35.75 1.43 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.512 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.9 m-20 -85.4 28.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.81 24.66 34.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.557 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.7 t -100.99 105.98 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -76.45 159.55 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.99 -39.31 93.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 8.6 m120 -73.87 -4.02 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -108.42 -16.19 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.9 tp -109.18 -40.46 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -55.11 -43.2 98.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.996 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.6 Cg_exo -47.98 -36.66 28.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.333 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.57 HG12 HD22 ' A' ' 100' ' ' LEU . 26.1 t -81.7 -23.79 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.19 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.7 mt -85.43 -13.15 50.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -92.06 -42.33 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -34.45 74.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.0 m -79.08 -52.36 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.72 -169.81 16.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.2 mt -89.08 126.77 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.53 105.79 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.29 -49.46 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.08 124.11 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 tp -115.64 105.7 13.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.687 HD22 ' HA ' ' A' ' 125' ' ' TRP . 22.2 tp -86.93 123.54 32.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.6 mtp -124.37 96.96 40.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.474 0.654 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.65 26.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 140.34 42.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.745 2.297 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 61.7 38.55 15.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 53.9 mmtt -137.63 122.62 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 1.45 4.41 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.622 2.215 . . . . 0.0 112.339 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 23.6 p90 -131.18 148.53 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.6 m -130.44 -179.78 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.423 ' CE1' HG23 ' A' ' 46' ' ' VAL . 77.7 m-85 -137.57 120.8 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.42 146.83 32.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.2 ttp180 -122.15 103.54 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 44.1 m-85 -77.26 153.34 34.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.511 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -64.68 -41.75 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.511 HG22 ' HD3' ' A' ' 88' ' ' ARG . 2.9 p -130.08 146.94 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -53.03 -51.0 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.59 -50.79 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.82 -55.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.702 ' OG ' HD11 ' A' ' 45' ' ' LEU . 4.1 t -44.8 -56.36 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 18.0 mtpp -52.9 -49.99 64.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -47.65 -42.96 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.66 -39.93 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -58.2 -35.85 72.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.5 t -90.18 -22.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.5 m -95.24 -64.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.796 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 16.4 mt -53.66 -48.41 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.2 t-20 -51.59 123.09 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.83 -17.48 45.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 49.4 tttm -66.98 155.93 37.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 6.5 mp0 -104.88 147.86 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.3 m -149.05 147.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 110' ' ' GLY . 44.1 t -86.44 115.15 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.94 -177.38 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -55.07 -45.69 75.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.4 mt -60.18 -29.93 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 107.26 11.88 24.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -96.68 144.76 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -79.75 101.65 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.63 152.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 m -105.83 101.17 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.1 134.47 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.742 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 86.5 m-85 -104.56 165.33 11.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.9 mp -139.44 126.15 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.0 m-20 -120.28 135.25 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -65.23 124.77 23.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.669 HG12 HG22 ' A' ' 37' ' ' THR . 24.5 m -123.96 126.19 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.419 ' HG2' HG13 ' A' ' 38' ' ' VAL . 6.5 pt-20 -73.89 -41.6 61.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -132.76 149.87 52.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 124' ' ' GLN . 77.4 t -136.74 153.83 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -79.51 45.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.687 ' HA ' HD22 ' A' ' 75' ' ' LEU . 91.3 m95 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.752 0.31 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -102.25 130.39 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 118' ' ' ASN . 42.9 p -129.76 148.86 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 42' ' ' THR . 28.7 m -98.91 174.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -91.73 -49.59 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.6 159.12 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . . . -59.34 143.33 49.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.485 HG21 ' CG2' ' A' ' 38' ' ' VAL . 77.4 p -141.94 123.82 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -41.49 -31.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.465 ' CB ' HG23 ' A' ' 120' ' ' VAL . 20.9 m -94.51 142.05 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.5 mt -134.46 145.82 49.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.7 p -112.28 119.75 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.03 112.11 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.15 163.27 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 51.31 25.34 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.22 -127.77 3.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.34 157.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 55' ' ' GLY . 23.7 mt -45.38 -51.62 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.43 -32.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.5 m120 -89.9 34.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.19 17.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.0 t -97.55 102.43 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -76.67 169.24 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.604 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.9 ttp180 -68.74 -39.42 80.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.9 t30 -72.73 -5.01 34.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -108.16 -22.23 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.513 HD13 HG11 ' A' ' 56' ' ' VAL . 16.2 tp -100.27 -41.54 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -54.64 -43.72 98.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.624 0.726 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.0 Cg_exo -47.94 -34.9 23.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 100' ' ' LEU . 13.5 t -87.45 -20.51 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 100' ' ' LEU . 95.9 mt -87.65 -12.47 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 49.4 mt-10 -88.96 -48.81 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 -44.91 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -61.87 -58.52 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.93 -158.5 8.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.1 mt -85.85 125.65 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.473 HG21 HD12 ' A' ' 62' ' ' LEU . 84.7 t -88.5 103.96 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -70.04 -53.21 18.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.69 130.12 12.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' ARG . 24.4 tp -114.48 97.47 6.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 18.6 tp -80.5 123.42 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtp -127.44 95.68 35.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.11 34.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.2 53.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.7 m120 56.19 38.78 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -136.91 121.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.3 Cg_endo -69.8 -4.62 14.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -123.68 146.18 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -130.17 -179.8 5.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.788 ' CG ' HG11 ' A' ' 123' ' ' VAL . 44.8 m-85 -139.81 126.86 20.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.49 156.69 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.59 114.81 13.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 50.3 m-85 -84.03 175.48 9.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -87.14 -34.33 19.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -138.58 132.71 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -38.03 -57.57 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' THR . 53.6 mt-10 -32.66 -61.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.66 -62.38 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.673 ' OG ' HD11 ' A' ' 45' ' ' LEU . 11.8 t -38.76 -52.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 41' ' ' ALA . 7.4 mtmp? -57.08 -48.82 77.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -49.56 -41.53 41.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.7 -35.37 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.626 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 13.0 t80 -63.1 -36.92 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.02 -19.46 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.9 m -95.35 -63.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 64' ' ' VAL . 15.1 mt -56.23 -52.58 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -46.59 124.31 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.36 -27.96 6.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 30.6 tttt -57.07 163.09 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 41.2 mt-10 -113.57 126.95 55.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 115' ' ' LEU . 17.6 m -123.12 141.08 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 110' ' ' GLY . 18.2 t -82.04 113.27 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.53 169.98 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -49.13 -33.46 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.95 -30.06 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 103.49 25.92 7.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -118.03 140.87 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -73.5 114.72 12.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.1 mt -108.95 145.24 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 m -99.31 105.82 17.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 105' ' ' VAL . 16.4 mt -93.82 140.17 29.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.0 m-85 -115.89 121.6 42.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.7 128.98 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -119.61 138.02 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.626 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -68.89 107.07 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 44' ' ' SER . 11.2 m -104.43 128.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.6 -40.65 66.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -135.61 161.4 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.788 HG11 ' CG ' ' A' ' 84' ' ' PHE . 97.2 t -159.01 135.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -59.81 77.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' VAL . 98.9 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.412 HD11 ' CD2' ' A' ' 82' ' ' TYR . 82.4 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -105.26 119.64 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 118' ' ' ASN . 29.2 p -116.07 134.75 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' ' 42' ' ' THR . 17.0 m -78.08 -176.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -103.89 -45.07 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -68.91 157.29 36.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.51 134.45 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 38' ' ' VAL . 52.3 p -134.53 128.59 33.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -42.39 -31.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -91.78 141.68 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.513 HD11 ' OG ' ' A' ' 93' ' ' SER . 40.4 mt -136.05 152.44 50.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.0 p -117.85 123.19 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 117.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.08 152.83 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.21 24.97 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.98 -127.56 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 152.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 mt -41.83 -49.94 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -36.26 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 50' ' ' GLY . 5.9 t-20 -88.45 32.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.58 29.44 48.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.15 115.76 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.091 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.0 p -86.49 158.78 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -61.33 -42.11 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.0 t-20 -74.35 -3.69 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -108.19 -16.41 14.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 24.1 tp -109.26 -38.4 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.7 tp -57.45 -42.44 95.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.9 Cg_exo -47.99 -42.71 31.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 100' ' ' LEU . 48.7 t -72.82 -24.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 62' ' ' LEU . 21.8 mt -85.65 -20.48 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 62' ' ' LEU . 93.8 mt-10 -86.19 -43.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -53.04 -36.48 60.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -74.39 -63.26 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.93 -152.53 5.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.5 mt -97.29 125.6 41.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.94 106.79 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.42 -47.28 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.58 135.74 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.4 tp -120.44 100.88 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 84' ' ' PHE . 16.5 tp -84.63 120.23 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 74.7 mtp -122.68 96.15 45.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.8 136.16 32.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.802 2.335 . . . . 0.0 112.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.92 46.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.5 37.38 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -136.57 121.92 13.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.33 9.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.3 p90 -124.84 154.16 41.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -137.93 -179.9 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.591 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.1 m-85 -136.95 128.52 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.38 153.25 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -128.89 111.09 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 45' ' ' LEU . 45.8 m-85 -86.42 146.67 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 89' ' ' THR . 0.0 OUTLIER -59.34 -34.98 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.451 HG23 ' CD ' ' A' ' 88' ' ' ARG . 17.3 p -143.37 129.25 19.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -34.23 -55.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' THR . 62.1 mm-40 -34.55 -55.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.83 -45.09 90.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.513 ' OG ' HD11 ' A' ' 45' ' ' LEU . 1.7 t -55.24 -52.83 62.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.1 mtmt -55.34 -46.19 76.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -52.43 -43.48 64.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.66 -35.08 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 22.2 t80 -62.96 -36.18 82.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' LYS . 8.2 t -90.2 -18.56 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.5 m -97.03 -63.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 64' ' ' VAL . 15.5 mt -55.99 -51.45 67.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 30.8 t-20 -42.21 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 105.43 21.85 8.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 100' ' ' LEU . 9.1 ttpp -89.95 163.26 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -110.37 128.52 55.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.485 HG21 HD11 ' A' ' 115' ' ' LEU . 5.2 m -138.96 132.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.25 109.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.28 179.36 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.74 -41.82 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.65 -30.53 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.7 14.95 14.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -112.29 134.67 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.95 111.21 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 114' ' ' THR . 9.2 mt -100.45 161.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 113' ' ' ILE . 2.2 m -103.88 105.64 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 105' ' ' VAL . 22.4 mt -93.11 128.68 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.831 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.1 m-85 -98.68 167.34 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.4 127.77 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.489 ' CB ' HG21 ' A' ' 37' ' ' THR . 5.8 m-80 -122.34 147.25 46.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.6 m-85 -76.43 113.99 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.69 151.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.18 -33.06 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -112.09 126.22 54.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.51 137.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.17 72.69 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 95.8 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.949 HD11 ' CD2' ' A' ' 82' ' ' TYR . 78.6 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.845 0.355 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.38 127.91 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.42 HG21 ' HB3' ' A' ' 118' ' ' ASN . 16.4 p -126.4 137.12 53.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 40' ' ' TYR . 17.5 m -80.96 -176.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -103.0 -44.62 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 13.9 p90 -63.06 170.3 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -74.5 138.3 43.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 40.4 p -135.12 137.83 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -55.18 -22.51 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -102.63 151.16 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HE1' ' A' ' 87' ' ' TYR . 78.5 mt -139.86 150.32 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.3 p -111.38 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.32 109.99 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.58 162.06 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 51.87 25.05 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.24 -130.41 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.82 152.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -40.81 -51.98 3.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.94 -37.33 0.97 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -86.41 33.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.88 36.04 25.91 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.93 110.29 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -80.88 155.6 26.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 74' ' ' LEU . 56.3 ttt180 -62.75 -38.58 91.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 72.2 m-20 -72.7 -5.9 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -108.24 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 15.1 tp -102.13 -40.81 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.3 tp -55.85 -43.07 99.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.9 -34.28 21.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.714 HG12 HD22 ' A' ' 100' ' ' LEU . 39.9 t -82.01 -27.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.7 mt -81.38 -20.52 40.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -82.32 -33.37 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' CYS . 17.6 ptpt -67.89 -38.98 83.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.1 m -72.84 -49.64 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.74 -167.3 18.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.94 135.06 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.34 97.94 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.21 -50.64 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.17 127.72 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.703 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.8 tp -114.7 109.38 18.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.9 tp -88.99 128.26 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.3 mtp -130.16 95.27 28.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 131.31 21.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.409 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.65 40.77 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 66.67 29.76 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 mmtp -131.54 123.0 19.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.94 9.28 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.79 2.327 . . . . 0.0 112.369 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.949 ' CD2' HD11 ' A' ' 35' ' ' ILE . 20.6 p90 -126.29 151.07 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.3 m -135.49 172.71 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.433 ' CB ' HG11 ' A' ' 123' ' ' VAL . 38.4 m-85 -132.18 128.36 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.06 151.81 31.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.554 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.0 ttp85 -125.75 113.32 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HE1' HD12 ' A' ' 45' ' ' LEU . 59.0 m-85 -84.59 178.26 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -92.89 -36.43 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -135.74 134.59 39.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.9 m -40.65 -59.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' THR . 37.9 mt-10 -33.37 -51.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.48 -60.59 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.5 t -40.77 -51.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 30.3 mtpt -58.91 -47.26 85.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -52.84 -44.09 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.67 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.56 -32.74 62.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 30.2 t80 -64.42 -37.43 87.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.71 -24.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.8 m -90.18 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 64' ' ' VAL . 37.5 mt -54.78 -53.84 49.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -45.77 123.34 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 114' ' ' THR . . . 89.0 -27.95 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 28.5 tttt -59.27 152.69 20.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.3 mt-10 -101.58 130.49 47.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 115' ' ' LEU . 24.3 m -127.19 133.19 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.0 t -71.94 115.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -75.59 178.62 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.11 -45.05 75.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.91 -29.26 69.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.4 16.43 12.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -105.98 139.1 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -79.18 117.84 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.88 144.67 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 102' ' ' GLY . 15.9 m -92.22 105.51 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 105' ' ' VAL . 11.4 mt -90.95 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.96 118.5 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.1 mp -96.02 127.02 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.1 m120 -119.32 136.65 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 36.5 m-85 -63.1 122.91 17.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.95 142.13 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -106.05 -41.22 5.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -99.99 121.41 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' TRP . 97.9 t -141.26 123.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -60.19 76.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.554 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.1 m95 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 82' ' ' TYR . 33.9 mt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.28 118.68 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.636 HG22 HG12 ' A' ' 120' ' ' VAL . 30.9 p -114.25 133.74 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.94 -177.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -101.67 -46.23 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -59.72 162.93 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -63.93 141.36 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.4 p -142.76 126.7 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.7 -34.28 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.8 m -88.96 153.0 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.487 HD21 ' CE1' ' A' ' 119' ' ' PHE . 38.9 mt -146.36 153.2 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 46' ' ' VAL . 15.0 p -117.82 121.48 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.99 118.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.87 158.1 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 53.94 26.64 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -129.55 -127.78 2.97 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 152.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.4 mt -43.52 -51.35 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.87 -34.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.7 t-20 -89.58 35.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.26 24.7 10.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 54' ' ' ASN . 89.4 t -101.97 109.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -80.0 161.53 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' HD23 ' A' ' 74' ' ' LEU . 26.4 ttm180 -65.4 -35.87 82.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 5.5 m120 -73.85 -6.09 45.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.35 -15.93 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 13.7 tp -107.4 -40.23 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.35 -42.75 97.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.5 Cg_exo -47.92 -39.23 32.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 100' ' ' LEU . 43.1 t -76.95 -24.4 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.93 -20.1 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 60.8 mt-10 -87.15 -41.86 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -58.34 -36.25 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.76 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.22 -167.02 10.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -87.07 122.88 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.431 HG21 HD12 ' A' ' 62' ' ' LEU . 67.0 t -90.83 101.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.3 -46.6 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 125.9 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD23 ' HG3' ' A' ' 58' ' ' ARG . 13.9 tp -113.37 103.67 11.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.486 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 20.8 tp -84.92 124.11 31.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 49.9 mtp -125.74 97.96 35.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 0.0 110.87 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.4 Cg_endo -69.9 135.61 30.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.64 2.227 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 141.65 45.28 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 59.37 38.63 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -136.55 123.49 14.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.75 10.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' A' ' 35' ' ' ILE . 37.4 p90 -125.47 155.29 40.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 m -138.7 177.84 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -134.57 128.72 33.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.25 143.47 47.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 22.6 ttt180 -125.16 110.25 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -78.61 175.84 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -84.33 -31.21 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.8 p -142.49 142.7 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.4 m -46.72 -55.57 7.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 12.9 mt-10 -35.25 -62.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.15 -56.47 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.06 -50.25 6.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 15.5 mtpp -58.65 -47.73 83.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -51.78 -43.72 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.96 -30.08 58.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 27.3 t80 -67.77 -36.49 80.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.34 -23.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.4 m -90.87 -59.38 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 64' ' ' VAL . 23.5 mt -60.08 -57.32 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -37.7 93.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 108.34 22.32 7.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' LEU . 5.9 ttpp -91.06 152.48 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -102.74 120.44 40.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 115' ' ' LEU . 30.8 m -131.68 136.77 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.15 112.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.625 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -76.91 175.78 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -53.26 -28.81 29.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.0 mt -70.33 -26.34 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.31 10.3 42.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.47 136.05 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -70.81 98.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 107' ' ' ASP . 2.8 mt -91.43 152.41 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.9 m -101.73 108.46 19.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 105' ' ' VAL . 16.2 mt -94.89 136.69 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.699 ' C ' HD12 ' A' ' 117' ' ' LEU . 8.4 m-85 -107.69 169.93 8.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.699 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.2 mp -143.39 126.18 16.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 6.0 m120 -119.02 143.25 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.0 m-85 -71.75 113.74 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 37' ' ' THR . 19.6 m -115.91 148.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.67 -34.55 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -109.09 120.62 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.93 126.81 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -67.15 75.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TRP . . . . . 0.536 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 m -81.61 80.15 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -134.41 143.39 47.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.04 133.76 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.0 p -126.76 152.51 46.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m 50.18 46.95 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.85 -178.87 43.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.551 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.11 -175.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -90.22 -41.41 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.524 ' NE2' ' ND2' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -107.64 175.43 5.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' LEU . 6.2 p -90.44 -21.63 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 28' ' ' THR . 3.8 mp -33.45 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.7 mm? -73.08 -50.51 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.7 tpt180 -50.14 -48.01 53.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' GLU . 35.0 m170 -55.99 -70.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' HIS . 69.2 mm-40 -36.52 -38.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.03 34.74 5.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.51 HD11 ' CG ' ' A' ' 82' ' ' TYR . 61.5 mt -89.85 117.52 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -94.77 128.54 41.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 p -127.33 138.17 52.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.727 HG11 ' OH ' ' A' ' 40' ' ' TYR . 19.3 m -82.82 179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t -100.24 -37.93 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.727 ' OH ' HG11 ' A' ' 38' ' ' VAL . 17.3 p90 -68.01 -178.18 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -88.59 137.73 32.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.073 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' GLN . 55.5 p -140.37 125.57 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' THR . 55.4 mt-30 -37.17 -36.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -85.92 150.59 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 119' ' ' PHE . 34.0 mt -142.63 163.2 33.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 46' ' ' VAL . 8.9 p -125.97 119.35 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.25 114.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.65 155.75 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.524 ' ND2' ' NE2' ' A' ' 27' ' ' HIS . 69.4 m-20 57.14 26.6 12.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.72 -126.5 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.525 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 155.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.4 mt -44.16 -50.32 8.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.58 -34.82 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.2 m-20 -88.95 33.16 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.27 33.34 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 54' ' ' ASN . 77.7 t -111.94 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.809 0.338 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -77.22 164.16 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG3' HD23 ' A' ' 74' ' ' LEU . 19.4 ttp180 -64.71 -41.25 96.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 4.1 m-20 -73.69 -2.95 25.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -108.04 -19.85 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 14.7 tp -105.74 -39.07 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 7.2 tp -56.55 -42.77 97.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.1 Cg_exo -48.07 -36.77 29.02 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.656 2.238 . . . . 0.0 112.319 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG12 HD22 ' A' ' 100' ' ' LEU . 39.3 t -80.86 -29.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 78.2 mt -78.48 -14.55 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -91.94 -45.95 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' CD ' ' HA ' ' A' ' 64' ' ' VAL . 19.6 ptmt -53.62 -34.84 59.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 100' ' ' LEU . 3.7 m -81.26 -59.13 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.56 172.28 27.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.79 133.83 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -104.62 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.16 -50.08 37.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.91 127.99 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.7 tp -114.12 101.6 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 84' ' ' PHE . 18.4 tp -81.86 124.23 29.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 61.6 mtp -129.66 94.7 31.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.692 . . . . 0.0 110.818 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.75 137.85 36.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 143.08 49.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.626 2.218 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 57.78 37.51 27.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' CE ' ' OH ' ' A' ' 82' ' ' TYR . 35.7 mmtm -134.97 121.3 14.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -5.69 16.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.248 . . . . 0.0 112.41 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CG ' HD11 ' A' ' 35' ' ' ILE . 18.6 p90 -122.78 146.73 47.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -133.87 175.53 9.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.642 ' CG ' HG11 ' A' ' 123' ' ' VAL . 45.8 m-85 -133.08 135.84 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.66 154.31 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -130.88 110.35 11.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' HE1' HD12 ' A' ' 45' ' ' LEU . 53.4 m-85 -83.62 172.43 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -83.18 -42.67 17.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -130.27 137.5 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -41.04 -59.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.0 mt-10 -33.72 -51.91 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.64 -58.14 9.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.04 -56.67 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 36.4 mtpt -53.21 -52.03 60.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -47.4 -43.28 23.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.738 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.38 -31.63 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -67.42 -35.42 79.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 94' ' ' LYS . 6.6 t -89.86 -18.04 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.2 m -99.99 -62.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.738 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.7 mt -55.52 -48.48 74.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 45.0 t-20 -51.86 123.46 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.65 -23.62 24.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -70.08 146.89 50.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -96.07 160.28 14.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -156.18 134.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.08 126.45 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.42 -178.5 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.99 -41.84 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.7 -27.63 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 105.14 12.4 27.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -106.9 133.97 50.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -68.68 124.22 23.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.8 mt -114.25 145.26 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 m -95.45 110.37 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 11.0 mt -100.32 147.71 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.412 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.9 m-85 -123.92 122.15 37.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.4 128.14 43.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.487 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 33.6 m-20 -119.07 146.08 45.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.5 m-85 -74.04 125.91 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 44' ' ' SER . 34.1 m -126.77 125.89 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.85 -43.78 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.02 155.84 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.642 HG11 ' CG ' ' A' ' 84' ' ' PHE . 95.1 t -151.63 142.62 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -66.49 75.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -71.73 161.88 30.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.7 p -93.12 43.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.5 147.13 17.39 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 108.25 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -62.66 104.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.762 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 44.7 t -68.03 129.19 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -91.77 -51.39 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 105.81 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.12 173.64 55.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -147.31 155.35 41.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.855 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.3 m -59.55 -55.84 29.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.785 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.89 -130.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.537 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.846 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -96.01 170.44 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -70.35 -39.83 74.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 2.6 p80 -92.95 148.56 21.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -84.52 30.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.6 tt -84.1 -22.27 31.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 25' ' ' ALA . 2.1 mm? -80.49 -38.7 29.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -57.74 -56.73 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -47.71 -56.98 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.39 -53.36 45.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.66 57.65 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.503 HD11 ' CD2' ' A' ' 82' ' ' TYR . 85.0 mt -109.28 124.67 66.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -107.72 112.16 24.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.686 HG22 HG12 ' A' ' 120' ' ' VAL . 33.9 p -106.84 144.03 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.41 HG21 ' CE1' ' A' ' 40' ' ' TYR . 31.4 m -83.48 -175.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -104.99 -40.81 5.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 42' ' ' THR . 23.0 p90 -68.74 168.24 13.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.925 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.44 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.563 HG22 ' CE2' ' A' ' 40' ' ' TYR . 45.8 p -133.93 133.8 41.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -49.23 -24.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -99.26 150.79 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD11 ' O ' ' A' ' 93' ' ' SER . 79.3 mt -143.62 141.55 30.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.8 p -105.12 122.19 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.98 114.44 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.43 153.59 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 39.9 m-20 61.08 25.22 15.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -128.16 -128.92 3.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.77 157.17 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.413 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.6 mt -45.52 -52.01 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -32.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 t-20 -92.35 34.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.07 38.85 32.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 54' ' ' ASN . 58.4 t -112.83 117.64 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 m -88.52 153.55 21.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -58.8 -42.21 88.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t-20 -74.03 -3.0 26.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 41.5 tp60 -108.16 -18.47 13.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 21.0 tp -107.29 -38.57 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -57.07 -42.61 97.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -48.02 -37.57 30.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.548 HG12 HD22 ' A' ' 100' ' ' LEU . 45.3 t -79.89 -24.53 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.6 mt -85.92 -14.4 44.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.12 -44.78 10.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -35.87 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 100' ' ' LEU . 7.8 m -77.18 -55.91 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.29 -178.75 25.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.7 mt -77.55 128.99 35.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG21 HD12 ' A' ' 62' ' ' LEU . 88.0 t -98.22 110.26 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.62 -51.85 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.31 129.98 16.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.34 105.52 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.506 HD23 ' CD2' ' A' ' 84' ' ' PHE . 22.7 tp -85.1 122.72 29.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 73.4 mtp -127.01 96.97 33.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.0 Cg_endo -69.83 138.77 38.37 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.84 49.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.08 41.96 31.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -136.96 122.41 13.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HG3' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.7 -4.76 14.64 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.369 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.503 ' CD2' HD11 ' A' ' 35' ' ' ILE . 18.8 p90 -123.46 153.05 41.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -140.17 177.05 8.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD2' HD23 ' A' ' 75' ' ' LEU . 49.0 m-85 -133.67 136.15 44.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.67 144.7 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.9 ttp180 -122.81 107.67 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -80.48 172.97 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -87.79 -29.18 21.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.0 p -138.99 141.77 38.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.8 m -50.48 -53.94 26.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 14.3 pt-20 -36.86 -52.05 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 67.4 mt-10 -57.99 -61.29 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.526 ' O ' HD11 ' A' ' 45' ' ' LEU . 2.1 t -38.53 -49.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.775 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.36 -53.29 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -47.59 -42.82 24.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.734 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.24 -33.33 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.582 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.4 t80 -65.36 -36.67 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.66 -20.18 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.7 m -96.48 -63.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 21.2 mt -54.49 -51.0 66.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 50.3 t-20 -50.18 117.69 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.54 ' O ' HG23 ' A' ' 114' ' ' THR . . . 95.91 -25.81 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.13 157.73 18.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.33 145.26 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 115' ' ' LEU . 14.8 m -141.34 138.14 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 t -78.95 107.35 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 3.1 p30 -65.36 -175.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.474 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 37.1 mt -61.61 -30.0 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.16 19.38 8.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -111.0 144.02 40.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -79.09 122.77 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -117.79 149.36 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 102' ' ' GLY . 5.7 m -100.9 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -91.67 146.28 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 50.9 m-85 -119.14 119.94 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.9 mp -98.56 127.43 44.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.458 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.5 m-20 -118.96 146.1 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.7 m-85 -73.51 117.66 15.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.686 HG12 HG22 ' A' ' 37' ' ' THR . 23.7 m -125.15 148.1 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.37 -37.78 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -102.66 132.75 48.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 69.5 t -157.49 136.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.25 68.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.411 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.1 m95 -56.61 -59.99 4.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.5 t -175.02 137.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.789 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.75 143.81 4.51 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' SER . 53.5 Cg_endo -69.72 -13.52 34.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.26 . . . . 0.0 112.322 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' PRO . 32.9 m -37.89 99.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -170.5 153.23 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.524 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 m -90.21 123.32 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 p -50.39 -53.47 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.61 128.79 9.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -174.44 180.0 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.835 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.457 ' O ' ' ND2' ' A' ' 118' ' ' ASN . 66.0 m -63.68 175.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.17 -161.19 15.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.517 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . . . -76.69 164.7 25.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -108.89 1.31 20.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CD2' ' HB3' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -65.2 140.97 58.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.7 p -67.34 -16.95 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -47.42 -27.96 1.91 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' NE2' ' A' ' 27' ' ' HIS . 18.8 mt -73.16 -62.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' HIS . 62.8 ttp85 -42.18 -68.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' ARG . 25.7 m170 -36.04 -54.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.88 -57.49 12.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.5 56.65 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.762 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.1 mt -106.05 124.36 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 111.099 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -113.66 124.2 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.643 HG22 ' CG1' ' A' ' 120' ' ' VAL . 42.1 p -119.12 148.83 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 40' ' ' TYR . 24.5 m -86.88 -179.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -100.96 -44.14 5.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.595 ' CE1' HG21 ' A' ' 38' ' ' VAL . 20.6 p90 -61.39 158.97 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB1' ' HD2' ' A' ' 94' ' ' LYS . . . -65.13 133.82 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -135.97 142.32 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -56.81 -32.39 65.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.401 ' CB ' HG23 ' A' ' 120' ' ' VAL . 62.4 m -88.93 143.89 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.571 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.0 mt -139.55 141.2 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 46' ' ' VAL . 12.0 p -107.36 123.01 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.15 115.35 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.46 147.35 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.2 m-20 66.13 26.68 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -129.67 -125.58 2.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.7 155.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.96 -48.79 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.959 0.409 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.39 -36.94 2.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.9 m-20 -86.26 33.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.8 15.82 3.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 54' ' ' ASN . 53.3 t -93.58 107.67 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.9 p -79.86 162.0 25.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.47 -40.84 98.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.8 t-20 -73.41 -4.43 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -108.24 -18.97 13.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.6 tp -105.27 -39.59 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.41 -42.99 99.07 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.3 Cg_exo -47.95 -40.42 32.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.517 HG12 HD22 ' A' ' 100' ' ' LEU . 37.9 t -76.25 -30.2 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 100' ' ' LEU . 50.5 mt -80.55 -12.45 59.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.08 -46.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -54.02 -31.78 52.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.6 m -81.11 -61.33 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.44 -167.31 10.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 mt -87.52 124.18 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.96 97.76 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.36 -45.64 62.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.8 131.48 13.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.1 tp -120.46 103.74 9.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 84' ' ' PHE . 29.4 tp -82.6 125.26 30.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.8 mtp -128.16 96.08 32.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.522 0.677 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 136.25 32.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.755 2.303 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 141.17 44.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 58.12 41.99 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 30.9 mmtp -139.79 121.34 9.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.878 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.69 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.762 ' CD2' HD11 ' A' ' 35' ' ' ILE . 24.7 p90 -127.56 144.4 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.7 m -129.79 177.88 6.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.7 m-85 -135.68 129.1 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.1 153.87 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 13.2 ttp85 -130.92 103.74 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 44.8 m-85 -75.43 178.22 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -88.91 -35.86 16.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 73.0 p -139.2 138.14 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.4 m -39.48 -59.04 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' THR . 51.3 mt-10 -33.95 -64.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -47.13 -57.38 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.571 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.7 t -43.27 -58.05 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 16.8 mtpp -51.84 -50.36 61.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -48.01 -44.13 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.744 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.39 -34.22 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 17.9 t80 -64.51 -36.89 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.8 t -89.86 -23.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.5 m -91.86 -60.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.744 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 25.6 mt -57.84 -55.03 40.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -44.64 107.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.06 16.55 35.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -96.99 153.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.29 132.88 43.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.98 134.56 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.8 t -76.61 107.97 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.43 175.54 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.33 -41.02 50.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -61.11 -29.37 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.63 9.61 30.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -100.37 144.31 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -84.45 98.81 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 114' ' ' THR . 13.1 mt -92.06 159.87 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 113' ' ' ILE . 11.4 m -109.92 97.9 7.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 16.2 mt -85.56 139.66 31.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 24.5 m-85 -107.66 170.54 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.0 mp -142.92 126.61 16.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.632 ' CB ' HG21 ' A' ' 37' ' ' THR . 42.2 m-20 -118.99 137.36 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 39.1 m-85 -67.19 117.0 8.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.643 ' CG1' HG22 ' A' ' 37' ' ' THR . 2.7 m -118.63 153.54 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -118.22 -34.94 3.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -113.59 116.26 29.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.74 132.57 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.63 73.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.453 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.2 m95 -66.86 158.85 29.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.5 p -83.78 -45.74 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.75 173.95 52.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 118.44 5.68 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.0 m -126.83 132.9 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.0 p -159.8 132.03 6.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 m -155.29 127.0 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -99.05 169.57 9.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.42 -125.45 0.8 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -92.93 107.49 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -48.87 -60.09 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.83 -157.69 8.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.0 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -104.5 -24.99 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.579 ' HE1' ' HB1' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -118.65 174.52 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.6 m -95.9 -32.2 12.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' THR . 5.5 mp -35.39 -37.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -68.82 -62.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -43.92 -53.73 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -43.73 -62.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -46.25 -42.29 14.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.71 50.65 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 82' ' ' TYR . 96.0 mt -104.72 132.21 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -108.2 110.26 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 120' ' ' VAL . 24.8 p -114.82 138.57 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CE1' ' A' ' 40' ' ' TYR . 34.7 m -83.5 175.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 t -91.79 -45.56 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 38' ' ' VAL . 13.0 p90 -66.1 172.15 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.51 148.51 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 p -146.05 127.13 14.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -39.8 -32.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 120' ' ' VAL . 66.1 m -93.82 158.69 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD12 ' CE1' ' A' ' 87' ' ' TYR . 33.6 mt -149.19 158.88 44.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 10.7 p -124.0 121.33 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.07 117.3 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.93 163.05 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 28.4 m-20 50.16 26.12 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -127.79 -127.76 3.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 155.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.561 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.5 mt -43.98 -52.71 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.54 -30.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.6 m-20 -91.71 32.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.63 29.18 31.87 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -106.03 110.67 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -79.94 162.97 24.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' HD23 ' A' ' 74' ' ' LEU . 24.8 ttm180 -68.85 -38.73 79.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.3 t-20 -73.1 -6.98 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -108.31 -19.21 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 20.1 tp -102.09 -40.59 6.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.0 tp -56.65 -42.65 97.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.558 0.694 . . . . 0.0 110.954 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -48.01 -47.76 18.26 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.731 HG12 HD22 ' A' ' 100' ' ' LEU . 42.5 t -67.77 -27.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 62' ' ' LEU . 15.7 mt -83.58 -15.45 49.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.64 -47.01 9.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -37.59 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' HD21 ' A' ' 100' ' ' LEU . 9.8 m -73.93 -57.71 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.01 -169.09 14.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 122.46 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -90.7 104.11 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.47 -34.68 54.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.31 129.09 4.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.6 tp -121.2 105.11 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.1 tp -89.38 126.32 35.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 68.4 mtp -127.39 98.14 29.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 135.04 29.5 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 143.17 49.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 60.73 32.19 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 20.7 mmtm -131.98 122.14 18.25 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 22.9 p90 -127.05 148.45 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.2 m -130.58 -179.98 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -133.74 129.76 37.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.14 145.83 41.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -126.24 114.7 18.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.583 ' CE1' HD12 ' A' ' 45' ' ' LEU . 71.7 m-85 -91.63 168.31 11.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -79.49 -35.37 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.3 p -137.29 148.07 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 91' ' ' GLU . 6.1 m -52.89 -57.63 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.9 mt-10 -34.12 -53.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.75 -56.01 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -43.85 -52.63 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 98' ' ' VAL . 28.3 mtpt -56.07 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -50.61 -42.69 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.46 -31.01 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 17.3 t80 -68.61 -37.67 79.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 94' ' ' LYS . 11.3 t -89.87 -21.55 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.3 m -92.15 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 HG12 ' A' ' 64' ' ' VAL . 27.0 mt -55.8 -54.12 48.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 37.8 t-20 -41.63 110.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.42 20.42 35.18 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.7 0.286 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -98.8 120.41 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.98 130.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 t -69.06 114.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.64 -175.19 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.06 -42.33 85.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.47 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.67 13.63 18.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -105.53 144.45 32.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -81.33 102.85 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mt -93.12 152.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.7 m -103.48 93.18 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 14.4 mt -81.21 141.79 33.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.79 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.4 m-85 -108.48 170.91 7.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.44 126.27 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.483 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 17.0 m-80 -119.32 144.23 46.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.473 ' CE1' HD21 ' A' ' 45' ' ' LEU . 34.4 m-85 -75.33 125.69 29.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' SER . 33.4 m -123.91 125.46 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.45 -40.43 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 123' ' ' VAL . 4.8 ptmm? -139.09 168.01 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' LYS . 78.2 t -160.53 143.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.09 70.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 123' ' ' VAL . 83.7 m95 -67.96 161.42 26.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -64.53 115.12 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.64 145.92 14.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -21.68 33.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.3 p 42.19 42.86 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.1 p -92.8 -46.89 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -105.69 108.45 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.5 p -117.71 173.75 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 45.86 85.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.8 p -133.04 145.91 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -143.7 148.28 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.26 -160.64 9.74 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.03 171.62 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -64.8 -16.62 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.569 ' CE1' HD21 ' A' ' 30' ' ' LEU . 1.3 p80 -125.08 160.71 28.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 28' ' ' THR . 3.9 m -98.4 31.25 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 29' ' ' LEU . 5.6 tt -89.31 -28.25 19.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 27' ' ' HIS . 3.4 mm? -70.7 -43.69 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 -58.36 -51.4 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.806 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.19 -48.68 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -63.52 -55.72 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.52 62.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.58 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.1 mt -114.29 127.05 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.18 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -98.26 121.37 40.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -124.42 133.94 53.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.28 -176.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -99.74 -48.88 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -60.0 169.31 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.52 138.89 43.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.7 p -138.33 130.01 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -42.73 -32.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB2' HG23 ' A' ' 120' ' ' VAL . 68.0 m -88.86 153.53 20.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD11 ' OG ' ' A' ' 93' ' ' SER . 51.1 mt -146.65 144.39 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 118' ' ' ASN . 13.7 p -109.6 122.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.72 112.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -88.46 159.41 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 54.27 25.51 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.81 -126.86 2.97 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 157.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' GLY . 24.1 mt -45.42 -53.11 9.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.46 -32.85 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -90.7 34.98 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.91 21.44 3.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.465 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 18.4 t -96.49 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 111.094 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -79.59 154.67 28.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -58.05 -42.98 86.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 9.9 t-20 -73.05 -3.2 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.09 -22.07 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 20.6 tp -102.5 -39.56 7.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.35 -42.93 98.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.97 -36.78 28.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.48 HG12 HD22 ' A' ' 100' ' ' LEU . 33.6 t -81.2 -27.99 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.4 mt -81.59 -20.66 39.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 62' ' ' LEU . 6.8 mm-40 -87.36 -45.64 10.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HE3' HG13 ' A' ' 64' ' ' VAL . 10.6 pttp -52.02 -38.69 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.17 -56.15 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.02 -168.07 13.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.51 134.99 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.38 109.92 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -76.36 -52.17 10.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.04 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.66 99.33 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 21.1 tp -79.88 124.12 28.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 78.9 mtp -129.13 96.83 27.59 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.546 0.689 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.73 140.38 42.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 147.38 62.79 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 t30 51.94 37.76 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -133.92 121.25 15.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.6 p90 -123.07 154.44 38.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.7 m -137.71 -179.45 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.479 ' CG ' HG11 ' A' ' 123' ' ' VAL . 64.9 m-85 -141.54 118.63 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.26 151.17 25.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.2 ttt180 -127.6 114.69 17.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 45' ' ' LEU . 58.4 m-85 -87.93 177.81 6.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -89.01 -46.62 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 60.1 p -125.58 126.61 45.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.587 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.4 OUTLIER -33.67 -52.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' THR . 27.0 mt-10 -37.58 -54.17 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.92 -55.18 35.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.507 ' OG ' HD11 ' A' ' 45' ' ' LEU . 2.4 t -47.24 -52.63 15.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 90' ' ' THR . 21.2 mtmt -56.4 -50.53 71.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -48.37 -41.62 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.791 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -78.89 -34.5 44.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.701 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.3 t80 -64.19 -36.52 84.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t -89.5 -19.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -99.11 -64.03 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.791 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -54.07 -48.21 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.5 t-20 -51.69 122.21 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.92 -17.69 55.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -74.26 154.56 38.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -104.94 151.52 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.01 145.34 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.7 t -81.64 112.15 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -75.89 -177.29 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -57.13 -39.06 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.02 -28.69 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.52 16.49 20.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.451 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -110.25 149.47 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -81.5 115.07 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.7 mt -108.84 143.7 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.3 m -94.45 113.35 25.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.6 142.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.407 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.3 m-85 -118.75 120.59 37.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.48 128.27 43.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.489 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 15.6 m-80 -119.73 145.59 46.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.701 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 27.8 m-85 -74.72 119.64 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 44' ' ' SER . 27.0 m -115.48 130.92 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.85 -41.05 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -134.22 157.68 45.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 125' ' ' TRP . 97.8 t -156.8 130.74 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -63.08 77.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.542 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 95.4 m95 -69.71 179.7 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -117.22 111.6 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.71 143.58 18.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 127.43 14.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -104.44 166.04 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.5 t -138.52 155.65 48.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.1 m -45.0 -44.79 10.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 t -130.31 -45.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.91 102.6 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.9 m -89.61 100.0 12.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m 43.88 41.82 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.01 -119.93 2.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.01 -176.33 4.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 116' ' ' TYR . 0.2 OUTLIER -67.33 -37.96 84.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' CD2' ' A' ' 30' ' ' LEU . 2.0 p80 -123.34 172.72 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' LEU . 16.5 p -77.0 -28.19 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' THR . 2.5 mt -33.92 -38.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 3.8 mm? -66.74 -64.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -41.86 -57.72 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' GLU . 33.3 m170 -46.17 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 32' ' ' HIS . 69.6 mm-40 -34.54 -43.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.44 42.76 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 82' ' ' TYR . 65.2 mt -92.83 114.96 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.43 120.24 34.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HG12 ' A' ' 120' ' ' VAL . 15.0 p -121.67 134.31 54.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 40' ' ' TYR . 26.7 m -78.53 -175.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t -104.27 -42.75 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.632 ' CE1' HG21 ' A' ' 38' ' ' VAL . 9.7 p90 -63.73 174.39 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 133.52 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.5 p -131.83 146.73 52.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -62.06 -18.2 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -105.26 152.03 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 119' ' ' PHE . 42.5 mt -142.01 162.9 34.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.2 p -126.08 120.34 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.31 116.93 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.7 160.7 15.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 52.88 24.97 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . -125.9 -126.38 2.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 153.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -42.83 -49.66 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.87 -35.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 3.8 m120 -85.99 27.83 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 58.32 17.28 31.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.0 t -96.81 103.24 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.5 m -74.86 165.18 25.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -68.7 -39.49 80.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.93 -4.59 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -108.23 -16.94 14.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.8 tp -107.74 -39.55 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.8 tp -56.43 -42.84 98.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.573 0.701 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.0 Cg_exo -48.07 -38.13 31.56 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 t -79.82 -27.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 100' ' ' LEU . 37.1 mt -79.34 -16.74 55.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -89.84 -46.54 8.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.65 -32.62 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 m -83.64 -53.85 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.82 166.58 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.97 130.51 43.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.3 t -99.01 105.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.22 -51.63 29.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.98 127.35 9.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 tp -115.19 109.31 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 84' ' ' PHE . 18.2 tp -89.29 126.38 35.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.4 mtp -129.02 96.96 27.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.542 0.686 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.78 134.48 28.06 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 141.67 45.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.1 m120 61.26 35.11 18.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 37.5 mmtt -134.96 123.77 16.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.9 Cg_endo -69.67 -6.75 19.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 35' ' ' ILE . 28.9 p90 -120.29 152.74 37.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.8 m -139.32 177.19 8.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.563 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.4 m-85 -133.5 138.06 45.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.78 145.07 49.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.513 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 3.9 ttt85 -123.47 108.63 12.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -80.25 164.53 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -83.34 -28.22 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -136.74 134.78 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 m -47.64 -50.13 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 92' ' ' GLU . 15.4 pt-20 -42.93 -44.18 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 86.2 mt-10 -64.42 -56.01 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 t -43.89 -51.77 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -58.75 -50.98 71.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.407 HH11 ' CB ' ' A' ' 95' ' ' ARG . 3.5 ttm105 -49.8 -46.3 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.6 -34.14 69.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 28.5 t80 -63.32 -37.6 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.04 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.8 m -93.75 -62.07 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 28.6 mt -57.16 -49.81 74.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 49.9 t-20 -51.43 125.98 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.65 -12.74 58.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -72.94 157.43 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.06 136.69 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 HD11 ' A' ' 115' ' ' LEU . 26.8 m -134.75 146.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 110' ' ' GLY . 30.9 t -88.22 109.0 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -70.06 -179.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -55.36 -36.89 66.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.85 -30.68 71.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.462 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 104.5 15.99 19.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -106.11 150.84 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -83.56 116.86 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.11 140.05 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.5 m -94.24 109.75 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD11 HG21 ' A' ' 105' ' ' VAL . 11.1 mt -94.72 140.38 29.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 48.3 m-85 -113.94 117.39 31.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 100' ' ' LEU . 6.9 mp -96.06 127.1 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 7.1 m120 -118.97 153.56 34.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 40.2 m-85 -80.45 121.94 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 HG22 ' A' ' 37' ' ' THR . 11.1 m -121.62 156.58 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 9.9 pt-20 -120.61 -32.39 4.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.53 121.17 43.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.4 t -144.54 125.1 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -66.22 72.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.5 m95 -64.59 135.21 55.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 t -104.1 111.56 24.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.814 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 144.13 166.54 11.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 93.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.2 m -106.63 107.52 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 m 52.01 42.39 30.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m 45.19 42.32 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.802 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -99.74 110.79 23.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' SER . . . 156.52 -126.99 1.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' GLY . 79.3 p 34.61 42.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.826 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -99.33 41.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' ALA . . . -95.43 146.37 18.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . -36.2 138.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -90.44 8.92 31.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.603 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -132.75 170.35 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 28' ' ' THR . 10.6 m -110.18 29.28 7.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -85.06 -26.2 27.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.8 mm? -67.9 -48.58 65.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' HIS . 8.1 tpt180 -53.53 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 31' ' ' ARG . 20.0 m170 -35.2 -44.3 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.57 -45.04 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ARG . . . 93.14 61.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' CD2' ' A' ' 82' ' ' TYR . 74.3 mt -106.34 130.21 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -102.06 122.83 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.9 p -122.12 144.08 49.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 HG21 ' A' ' 42' ' ' THR . 29.3 m -90.53 -179.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.5 t -103.09 -41.98 5.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 22.8 p90 -68.68 166.52 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -66.8 139.74 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 38' ' ' VAL . 72.2 p -141.16 129.61 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -46.85 -28.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -96.15 147.77 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 87' ' ' TYR . 47.5 mt -139.17 156.55 47.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.4 p -120.85 118.28 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.16 118.07 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -90.49 165.13 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.515 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 93.5 m-20 48.25 26.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PRO . . . -127.07 -126.8 2.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.573 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.78 156.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.8 mt -44.0 -51.14 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.05 -34.5 0.85 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.515 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.0 m-20 -88.42 32.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 110.828 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 52.77 23.33 14.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -102.1 103.4 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -74.25 167.68 21.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' HD23 ' A' ' 74' ' ' LEU . 35.3 ttm180 -69.13 -41.42 77.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 7.5 t30 -74.13 -2.96 26.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -108.17 -17.87 13.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 27.0 tp -108.21 -38.67 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.9 tp -56.8 -42.68 97.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.975 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.8 Cg_exo -47.92 -37.34 29.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 100' ' ' LEU . 47.5 t -78.62 -29.68 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.0 mt -80.41 -24.68 39.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -79.39 -47.14 16.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.558 ' HE2' HG13 ' A' ' 64' ' ' VAL . 17.1 pttt -53.37 -39.47 64.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.0 m -77.26 -56.74 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.8 172.84 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.9 116.39 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG21 HD12 ' A' ' 62' ' ' LEU . 92.4 t -84.6 104.74 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.54 -34.38 47.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.64 122.89 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 58' ' ' ARG . 18.3 tp -116.4 101.61 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 84' ' ' PHE . 24.8 tp -84.74 124.99 32.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 69.3 mtp -126.92 98.52 30.56 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.7 Cg_endo -69.83 134.99 29.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 141.65 45.61 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 58.1 t30 58.66 40.6 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 31.1 mmtp -138.55 123.97 12.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.499 0.666 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.84 -1.93 9.38 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.5 p90 -127.05 152.84 46.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 m -138.56 176.8 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 75' ' ' LEU . 51.8 m-85 -132.38 133.4 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.02 156.26 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 8.7 ttp180 -134.95 118.32 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.453 ' CE1' HD12 ' A' ' 45' ' ' LEU . 56.2 m-85 -91.34 171.6 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -84.49 -26.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -140.64 146.68 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 m -57.18 -54.86 41.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 17.2 pt-20 -38.42 -48.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 7.0 mm-40 -61.89 -56.56 18.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -43.3 -50.15 6.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -58.65 -48.18 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -49.59 -40.38 38.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -77.86 -33.58 52.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.497 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.7 t80 -64.88 -37.42 87.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.1 t -88.0 -19.8 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.163 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.2 m -98.6 -62.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.835 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 31.9 mt -54.41 -48.49 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.0 t-20 -54.61 119.44 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.2 -8.44 77.6 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -79.88 149.54 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -97.21 146.3 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.9 m -143.32 138.05 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.482 HG23 ' CE ' ' A' ' 112' ' ' LYS . 23.8 t -78.34 111.3 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 109' ' ' LEU . 5.5 p30 -67.42 -176.46 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -38.17 83.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.442 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 27.3 mt -65.57 -30.84 71.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 111.65 15.25 10.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -105.3 146.95 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.482 ' CE ' HG23 ' A' ' 106' ' ' VAL . 21.4 mmtp -84.77 125.44 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -118.21 147.4 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.6 m -98.82 102.35 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -88.47 150.51 23.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.4 m-85 -125.6 117.84 24.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.444 ' O ' ' ND2' ' A' ' 101' ' ' ASN . 7.2 mp -96.05 125.56 40.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.97 141.78 48.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.497 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 25.9 m-85 -67.7 125.88 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 144.3 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -107.3 -32.71 7.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -110.56 129.2 55.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' TRP . 58.2 t -151.96 121.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -60.65 77.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.579 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.7 m95 -68.03 156.58 37.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.5 m -94.58 175.9 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.5 -162.93 12.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -1.96 9.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.745 2.297 . . . . 0.0 112.347 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -46.61 153.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 84.4 p -45.91 129.98 9.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' GLY . 32.1 t -35.24 131.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 t -171.79 144.12 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' SER . . . -179.34 -71.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' GLY . 19.0 m 37.49 51.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -86.43 -60.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.72 -176.01 14.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.75 ' HB1' ' HD2' ' A' ' 27' ' ' HIS . . . -71.53 -73.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 25' ' ' ALA . 8.5 tptm 36.17 52.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.75 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 2.2 p80 -83.73 160.96 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' LEU . 65.2 m -37.83 -48.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 81' ' ' PRO . 6.8 tt -34.26 -57.14 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 30' ' ' LEU . 3.9 mm? -57.75 -66.02 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' HIS . 75.1 ttt180 -50.26 -67.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' ARG . 1.9 t-80 -35.69 -66.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -42.91 -57.2 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.41 53.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' A' ' 82' ' ' TYR . 97.6 mt -106.38 131.67 55.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -112.12 121.47 45.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.584 HG21 ' HB3' ' A' ' 118' ' ' ASN . 27.0 p -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 m -75.93 -179.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 t -98.01 -46.78 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' A' ' 42' ' ' THR . 25.5 p90 -64.46 171.64 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 124.63 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 20.6 p -114.02 154.07 28.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.58 -16.39 64.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -111.34 154.65 24.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD12 ' HE2' ' A' ' 87' ' ' TYR . 83.6 mt -138.44 160.36 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.3 p -123.5 117.49 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.06 121.31 35.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.44 161.73 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.54 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 90.0 m-20 49.82 25.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -124.4 -127.21 3.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.15 153.17 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.41 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.3 mt -43.45 -49.98 7.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.05 -36.32 1.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.475 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.5 m-20 -84.47 28.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 56.71 22.1 38.77 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -100.27 106.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.2 m -79.19 155.76 28.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HG3' HD23 ' A' ' 74' ' ' LEU . 7.9 ttp-105 -59.43 -42.18 91.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t30 -71.16 -2.97 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -108.09 -26.46 10.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 16.0 tp -97.39 -39.82 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 8.2 tp -56.24 -43.02 99.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.91 -35.21 24.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.577 HG12 HD22 ' A' ' 100' ' ' LEU . 39.7 t -81.03 -28.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.613 HD23 ' CD1' ' A' ' 100' ' ' LEU . 44.6 mt -80.08 -19.85 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -81.21 -47.1 13.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -38.03 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.7 m -71.65 -61.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.86 -176.71 23.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.51 125.91 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.0 t -94.99 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.46 -54.71 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.66 126.32 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.533 HD23 ' HG3' ' A' ' 58' ' ' ARG . 17.2 tp -111.12 100.49 9.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 25.8 tp -80.97 120.87 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -124.01 96.72 41.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.5 Cg_endo -69.64 134.41 28.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.412 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.52 45.47 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 62.06 34.04 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.534 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 29.1 mmtt -132.47 124.1 18.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.504 ' HG2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.81 -4.3 13.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD2' HD11 ' A' ' 35' ' ' ILE . 19.5 p90 -125.13 159.32 31.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -140.81 177.72 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -135.21 122.88 22.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.12 141.79 42.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.537 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 21.5 ttp180 -118.27 114.48 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.548 ' HE2' HD12 ' A' ' 45' ' ' LEU . 45.9 m-85 -88.95 154.97 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.66 -36.48 76.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.4 p -136.64 132.2 34.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.8 m -38.69 -53.13 1.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 90' ' ' THR . 4.6 mt-10 -34.38 -55.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.7 -56.59 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.453 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 40.6 t -43.31 -52.71 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -57.18 -50.6 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -51.94 -41.48 62.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.692 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.57 -32.75 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 22.8 t80 -66.29 -37.9 86.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.1 t -90.03 -18.35 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.0 m -97.25 -63.35 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.692 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 26.7 mt -56.13 -49.32 74.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.8 t-20 -52.37 122.53 8.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.43 1.27 89.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -83.63 150.41 25.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -93.87 130.14 40.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.4 m -137.33 134.01 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.466 ' CG1' ' HA2' ' A' ' 110' ' ' GLY . 82.3 t -77.34 123.69 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.49 -174.92 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -53.56 -43.8 68.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.93 -28.94 69.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 106' ' ' VAL . . . 104.59 6.8 40.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -93.06 151.33 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.67 108.59 19.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.4 mt -103.81 148.6 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.4 m -102.74 99.44 9.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.9 mt -83.95 141.48 31.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -113.94 119.58 37.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 100' ' ' LEU . 8.3 mp -96.14 129.18 43.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.584 ' HB3' HG21 ' A' ' 37' ' ' THR . 34.4 m-20 -121.32 149.03 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 45' ' ' LEU . 36.0 m-85 -75.77 114.6 14.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.0 m -117.08 138.39 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 122' ' ' LYS . 6.8 pt-20 -103.72 -36.27 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 121' ' ' GLU . 28.6 mmtp -107.69 117.79 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.42 ' HB ' ' NE1' ' A' ' 125' ' ' TRP . 89.3 t -139.7 133.77 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 70.71 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.7 m95 -65.84 169.71 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.4 t -151.6 146.38 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.42 146.18 6.65 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -41.73 3.95 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.622 2.215 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.7 m -74.36 163.44 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.5 t -133.58 -60.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.7 m 50.4 41.85 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 p -132.28 125.45 31.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.757 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 132.73 179.94 16.73 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -65.65 130.37 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.91 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -89.57 80.22 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.7 -136.3 4.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' NE2' ' A' ' 27' ' ' HIS . . . -68.85 169.63 11.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -118.95 18.01 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.688 ' NE2' ' HB1' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -119.6 135.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 30' ' ' LEU . 58.6 p -48.96 -24.11 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.7 tp -34.53 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.7 mm? -79.5 -67.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -55.18 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -48.56 -61.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -49.75 -49.88 46.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.52 42.16 1.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -93.44 124.79 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -103.46 121.01 41.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 118' ' ' ASN . 35.0 p -117.55 131.88 56.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.7 m -79.35 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -88.62 -42.01 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CE1' ' HB ' ' A' ' 38' ' ' VAL . 51.7 p90 -65.69 157.32 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.47 141.17 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.044 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.47 HG21 HG21 ' A' ' 38' ' ' VAL . 57.6 p -142.65 137.08 29.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -51.15 -39.54 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -83.42 154.21 24.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -145.95 155.76 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.3 p -117.47 121.13 66.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.87 112.74 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.89 160.73 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.514 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 76.8 m-20 50.83 30.15 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -130.18 -127.27 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.51 155.53 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.401 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -43.19 -51.15 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.386 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.17 -35.15 1.03 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 3.9 m-20 -88.08 34.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.58 28.66 10.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 38.3 t -105.11 105.0 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -77.71 156.89 30.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG3' HD23 ' A' ' 74' ' ' LEU . 27.8 ttt180 -59.54 -41.17 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 20.2 t-20 -74.12 -4.04 33.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -108.19 -16.34 14.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 30.6 tp -108.98 -39.42 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.38 -42.83 98.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.06 -40.52 33.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.621 2.214 . . . . 0.0 112.329 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 HD22 ' A' ' 100' ' ' LEU . 33.0 t -76.91 -27.52 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 62' ' ' LEU . 12.0 mt -82.18 -15.89 51.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.74 -40.62 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -58.1 -34.64 70.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' HD21 ' A' ' 100' ' ' LEU . 2.9 m -75.08 -50.45 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.49 -155.17 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.6 129.92 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.57 109.58 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.52 -46.02 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.56 130.05 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 ' HG3' ' A' ' 58' ' ' ARG . 27.1 tp -116.09 107.18 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.507 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 21.0 tp -87.58 123.24 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 62.8 mtp -126.25 95.28 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.677 . . . . 0.0 110.925 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.75 136.5 33.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.62 48.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 58.78 37.01 25.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -135.11 120.97 14.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.529 0.681 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.25 6.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -128.49 151.53 49.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.5 m -136.13 173.77 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.477 ' CB ' HG11 ' A' ' 123' ' ' VAL . 45.2 m-85 -132.54 121.66 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.44 148.95 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.5 ttt180 -123.85 117.01 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -89.79 159.66 16.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD3' ' CG2' ' A' ' 89' ' ' THR . 3.9 tmt_? -73.34 -38.95 65.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' ' HD3' ' A' ' 88' ' ' ARG . 11.0 p -131.21 139.45 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 m -46.01 -54.46 8.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.91 -57.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.1 -56.75 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -45.91 -58.37 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.09 -50.25 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -48.33 -46.83 36.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.605 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -71.02 -32.95 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.672 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 19.8 t80 -65.92 -39.57 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -90.16 -16.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.8 m -97.18 -60.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 64' ' ' VAL . 35.5 mt -60.02 -53.4 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.1 t-20 -44.56 125.31 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.0 -31.1 6.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -62.83 155.78 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -102.83 137.84 40.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 115' ' ' LEU . 8.6 m -127.88 130.49 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -72.32 105.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.84 -178.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.1 -38.96 84.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.2 -20.99 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.84 20.22 22.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -108.5 145.87 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -80.77 110.89 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.8 mt -106.32 147.15 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 m -99.81 106.76 18.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 105' ' ' VAL . 13.7 mt -96.43 137.14 35.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -113.39 122.97 48.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.437 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.4 mp -97.19 129.15 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.497 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -120.82 143.46 48.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.672 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 34.5 m-85 -72.23 126.59 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.34 164.1 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.08 -37.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -107.7 119.36 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.2 t -146.01 129.26 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.63 76.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.507 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 99.2 m95 -68.75 179.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 t -87.51 91.07 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.68 -158.2 34.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.444 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.47 16.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 7.6 t -153.68 126.89 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.1 m -106.39 163.45 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.7 t -59.02 139.08 57.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 m -122.63 99.36 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.41 153.14 5.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -153.91 127.32 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -63.42 157.45 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.68 -163.37 35.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.693 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -68.67 175.74 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -67.93 -34.82 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.628 ' CE1' HD21 ' A' ' 30' ' ' LEU . 2.1 p80 -108.73 -179.81 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -106.45 32.48 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -93.87 -28.46 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 25' ' ' ALA . 2.9 mm? -70.96 -48.08 55.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.6 ttt-85 -56.12 -43.28 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -54.15 -29.97 47.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -84.92 -52.44 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.58 39.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.1 mt -91.42 123.58 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -106.9 106.25 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 120' ' ' VAL . 61.6 p -100.47 144.06 29.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.3 m -86.09 172.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -90.65 -49.56 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' OH ' HG11 ' A' ' 38' ' ' VAL . 13.5 p90 -59.84 162.47 5.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -77.58 126.76 31.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.047 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.4 p -120.16 164.04 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -72.02 -23.7 61.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.557 ' HB2' HG23 ' A' ' 120' ' ' VAL . 0.8 OUTLIER -100.78 147.13 26.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 87' ' ' TYR . 38.4 mt -135.75 161.69 34.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.9 p -126.42 121.47 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -84.35 115.44 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.6 151.9 19.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 60.96 25.96 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.61 -126.1 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.4 156.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 55' ' ' GLY . 20.2 mt -43.77 -51.39 7.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.87 -32.34 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.4 m-20 -91.65 34.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.37 29.14 16.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -106.31 106.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -79.85 161.37 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' HD23 ' A' ' 74' ' ' LEU . 33.5 ttm180 -64.45 -40.07 95.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 48.8 m-20 -73.94 -3.82 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -108.18 -18.03 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 19.5 tp -107.13 -39.05 5.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.8 tp -56.83 -42.59 97.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.958 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.4 Cg_exo -47.97 -38.39 31.3 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.75 2.3 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 HD22 ' A' ' 100' ' ' LEU . 45.5 t -79.73 -32.22 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD23 ' CD1' ' A' ' 100' ' ' LEU . 34.8 mt -77.21 -13.06 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.23 -42.38 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -59.14 -38.66 80.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' A' ' 100' ' ' LEU . 8.1 m -71.31 -45.55 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.8 -160.05 10.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.21 125.94 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.54 106.46 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.72 -48.46 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.64 125.7 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.1 tp -115.83 103.79 11.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.85 127.61 34.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 63.8 mtp -130.13 96.54 25.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.8 Cg_endo -69.73 137.17 34.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 146.01 59.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.63 33.47 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -132.29 120.43 17.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.2 Cg_endo -69.89 0.42 5.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.322 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -126.05 149.19 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -131.49 178.82 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.491 ' CE1' HG23 ' A' ' 46' ' ' VAL . 66.0 m-85 -138.14 126.31 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.93 149.52 33.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -126.72 102.03 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' HD12 ' A' ' 45' ' ' LEU . 53.9 m-85 -76.21 157.41 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.446 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.3 -37.39 74.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.446 HG22 ' HD3' ' A' ' 88' ' ' ARG . 6.3 p -133.8 143.35 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.9 m -49.02 -53.23 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -38.68 -64.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.89 -56.41 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 87' ' ' TYR . 1.9 t -42.46 -56.69 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 38.4 mtpt -53.35 -50.27 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -47.09 -40.73 15.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.747 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.02 -35.63 42.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.546 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 24.4 t80 -62.7 -35.29 79.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -90.01 -20.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -97.63 -63.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.747 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 20.2 mt -54.09 -44.64 71.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 42.9 t-20 -56.33 113.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.08 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -78.55 157.75 28.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -106.01 134.04 49.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 105' ' ' VAL . 5.1 m -132.02 125.52 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.49 109.18 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -178.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -42.43 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -25.32 65.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.96 14.66 24.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -106.56 142.29 36.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -82.18 125.83 31.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.3 mt -122.14 143.27 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.3 m -91.88 111.14 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.32 135.66 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.409 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 33.9 m-85 -110.38 125.59 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.6 mp -99.28 129.1 45.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.585 ' HB3' HG21 ' A' ' 37' ' ' THR . 9.1 m120 -121.18 140.68 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.4 m-85 -69.5 122.95 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 37' ' ' THR . 24.0 m -126.7 146.46 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -109.44 -38.34 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -107.91 125.66 51.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 96.4 t -141.68 144.76 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -79.31 66.21 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.47 139.54 57.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.2 t -118.05 -63.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.88 -157.72 21.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -47.28 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.283 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -174.48 117.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.1 m -75.08 90.68 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.544 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -63.0 -55.86 22.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -40.65 145.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.93 168.01 38.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 m -87.49 111.53 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.4 p -104.12 177.7 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.764 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.42 177.53 19.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -179.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -96.85 -7.59 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.585 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -133.38 132.23 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -50.41 -28.01 7.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -38.88 -38.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 3.7 mm? -74.35 -45.45 47.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -46.01 -55.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 33' ' ' GLU . 35.2 m80 -52.01 -64.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 32' ' ' HIS . 11.1 mm-40 -36.46 -37.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.11 45.71 4.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 82' ' ' TYR . 76.3 mt -101.82 120.6 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -100.28 127.37 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.442 HG21 ' HB3' ' A' ' 118' ' ' ASN . 6.6 p -123.46 144.24 49.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.9 179.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -98.95 -46.92 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -62.25 159.31 15.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 136.93 56.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.9 p -132.78 136.3 46.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -51.55 -28.66 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 86' ' ' ARG . 7.2 m -97.43 161.36 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.5 mt -147.31 166.11 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.9 p -129.86 115.66 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.71 122.71 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.54 163.68 13.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 47.74 27.56 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.01 -129.85 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.37 156.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 55' ' ' GLY . 18.3 mt -44.95 -52.54 8.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.899 0.38 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.61 -33.0 0.33 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.9 t-20 -91.66 36.54 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 47.64 32.85 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 54' ' ' ASN . 40.7 t -107.65 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -78.61 158.11 28.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.623 ' HG3' HD23 ' A' ' 74' ' ' LEU . 23.9 ttp85 -63.5 -39.54 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.6 m-20 -74.46 -5.2 41.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -108.15 -15.0 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 17.0 tp -109.43 -40.02 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.0 tp -55.92 -43.09 99.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.6 Cg_exo -47.94 -43.0 30.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.571 HG12 HD22 ' A' ' 100' ' ' LEU . 27.9 t -71.61 -28.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.4 mt -81.51 -19.28 42.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -85.2 -47.39 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -34.72 55.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.468 ' SG ' HD21 ' A' ' 100' ' ' LEU . 5.3 m -78.64 -50.01 12.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.89 -175.92 28.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 47.7 mt -76.97 134.08 38.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.795 0.331 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -105.88 109.45 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -76.35 -51.91 10.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 127.52 9.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD23 ' HG3' ' A' ' 58' ' ' ARG . 19.0 tp -111.55 108.4 17.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 24.9 tp -85.21 127.23 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 mtp -130.04 94.8 30.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.511 0.672 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.6 30.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.758 2.305 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.83 46.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.265 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 59.63 37.43 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HZ2' ' HG3' ' A' ' 80' ' ' LYS . 24.1 mmtp -135.69 121.07 13.66 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.0 Cg_endo -69.83 0.73 5.27 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.623 ' CD2' HD11 ' A' ' 35' ' ' ILE . 11.4 p90 -130.77 147.98 52.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.0 m -131.08 176.09 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 46' ' ' VAL . 58.3 m-85 -134.08 125.21 27.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.73 150.08 28.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt85 -125.94 102.95 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -76.29 156.13 33.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -74.16 -30.13 62.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.3 p -137.21 144.13 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 m -52.74 -59.36 4.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 39.9 mt-10 -34.44 -60.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' OE1' ' CA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -50.31 -54.53 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -46.07 -59.64 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -50.69 -51.63 47.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -47.27 -42.17 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.08 -33.17 59.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 23.8 t80 -65.29 -37.85 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.57 -17.88 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.0 m -100.85 -62.81 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.86 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 29.1 mt -53.88 -49.01 69.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 116' ' ' TYR . 54.2 t-20 -54.25 109.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.07 -19.76 42.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.97 148.19 47.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -91.36 142.55 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 115' ' ' LEU . 4.8 m -139.46 138.32 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -81.74 116.34 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -74.16 177.27 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.63 -31.35 64.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.0 -30.26 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.81 20.98 8.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.11 150.95 33.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -81.55 125.53 30.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.55 141.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 m -93.23 106.24 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -97.64 135.28 39.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.496 ' CD2' ' OD1' ' A' ' 101' ' ' ASN . 34.6 m-85 -112.07 127.49 55.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 100' ' ' LEU . 7.0 mp -102.96 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.442 ' HB3' HG21 ' A' ' 37' ' ' THR . 11.9 m-80 -119.38 143.76 47.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 31.8 m-85 -70.37 127.1 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.7 m -128.31 150.91 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.48 -34.1 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -116.25 122.55 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.0 t -142.28 130.95 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -66.01 76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.546 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 -72.5 157.81 36.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 p -68.0 -43.54 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.11 156.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.11 27.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.33 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 m -122.09 -44.77 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 87.5 p -128.15 129.02 45.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' SER . 23.2 t -154.73 133.61 12.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' SER . 91.1 p -36.19 120.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.71 -67.2 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -45.09 120.83 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 9.5 t -55.44 -59.19 5.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.83 -151.38 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.536 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.34 -175.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.76 18.12 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -133.3 127.66 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.0 t -55.34 -20.3 11.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -39.09 -45.11 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 27' ' ' HIS . 1.5 mm? -60.62 -40.81 93.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' THR . 28.7 ttp85 -48.93 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -42.48 -49.86 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.76 -35.0 76.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.13 56.59 3.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.535 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 82' ' ' TYR . 94.8 mt -108.07 122.22 62.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -115.5 125.4 53.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.675 HG21 ' CB ' ' A' ' 118' ' ' ASN . 33.1 p -115.95 151.29 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' OE2' ' A' ' 121' ' ' GLU . 16.9 m -84.81 -179.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -94.07 -47.56 6.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -64.7 161.06 18.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.5 147.02 53.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' SER . 29.6 p -142.39 126.53 17.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.176 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -38.15 -31.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.4 p -95.1 157.67 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 87' ' ' TYR . 50.1 mt -147.01 151.95 37.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.61 ' HB ' HG11 ' A' ' 120' ' ' VAL . 14.9 p -115.99 120.98 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.2 122.02 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -95.75 159.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.0 m-20 53.71 26.23 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.81 -127.4 3.08 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 156.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.515 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -43.66 -50.85 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.25 -34.79 1.02 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.493 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.5 m-20 -87.54 32.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 53.26 19.63 8.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.445 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' ASN . 64.8 t -97.41 106.99 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m -80.69 159.59 25.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HG3' HD23 ' A' ' 74' ' ' LEU . 28.0 ttp180 -60.8 -42.07 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.2 t-20 -74.56 -3.46 31.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.13 -16.11 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 26.0 tp -110.04 -38.56 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.94 -42.75 97.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.5 Cg_exo -47.95 -36.94 28.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG12 HD22 ' A' ' 100' ' ' LEU . 44.4 t -79.7 -30.41 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.7 mt -79.3 -14.96 58.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.96 -46.03 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.36 -33.95 45.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -82.05 -69.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.57 -178.94 15.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -77.16 131.55 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG21 HD12 ' A' ' 62' ' ' LEU . 57.6 t -100.0 103.64 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.29 -53.9 11.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.46 123.58 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD23 ' HG3' ' A' ' 58' ' ' ARG . 20.3 tp -109.89 101.75 10.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 27.0 tp -82.62 125.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.9 mtp -127.53 95.73 34.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.63 30.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 142.92 49.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.632 2.221 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.6 m120 58.83 36.95 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 43.8 mmtt -136.11 122.67 14.1 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.537 0.685 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -3.8 12.79 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 36.3 p90 -122.18 155.97 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.9 m -142.22 170.51 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' HD2' HD23 ' A' ' 75' ' ' LEU . 53.1 m-85 -127.86 136.97 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.08 153.07 40.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.502 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 5.0 ttt180 -130.19 106.19 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.485 ' CE1' HD12 ' A' ' 45' ' ' LEU . 48.0 m-85 -78.86 158.56 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -74.48 -26.41 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.784 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -139.81 149.08 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.7 m -59.85 -49.7 76.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 92' ' ' GLU . 10.1 pt-20 -44.16 -48.11 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 37.2 mm-40 -59.4 -57.58 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 t -41.47 -54.22 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 98' ' ' VAL . 14.6 mtpp -56.19 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -50.02 -39.62 42.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.785 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -79.61 -34.5 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 101' ' ' ASN . 23.0 t80 -63.98 -35.5 80.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 94' ' ' LYS . 9.4 t -89.9 -19.57 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -98.62 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.785 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 19.7 mt -54.42 -48.14 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 44.4 t-20 -54.35 120.58 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.23 -9.86 76.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -76.8 146.34 37.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -94.25 134.72 36.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.833 HG21 HD11 ' A' ' 115' ' ' LEU . 23.5 m -134.32 131.07 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG13 ' HA2' ' A' ' 110' ' ' GLY . 19.5 t -74.94 108.97 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.63 175.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.13 -32.59 55.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.95 -34.25 76.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.441 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 113.52 10.0 15.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -102.77 141.07 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.967 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -78.39 121.06 24.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.0 mt -117.65 140.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 m -91.07 104.64 17.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 105' ' ' VAL . 11.2 mt -88.8 139.16 30.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 31.8 m-85 -116.54 121.81 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 100' ' ' LEU . 6.8 mp -101.6 128.96 47.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.675 ' CB ' HG21 ' A' ' 37' ' ' THR . 7.9 m120 -119.01 151.98 37.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 45' ' ' LEU . 17.0 m-85 -78.46 108.18 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.648 HG12 HG22 ' A' ' 37' ' ' THR . 20.4 m -104.26 134.77 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.475 ' OE2' ' CG1' ' A' ' 38' ' ' VAL . 4.3 pt-20 -87.67 -43.26 12.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -123.77 139.8 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 84' ' ' PHE . 87.0 t -140.99 141.98 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -74.76 74.97 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 98.9 m95 -68.05 144.16 55.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 m -130.75 177.08 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.54 151.1 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.455 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.76 12.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m -74.9 154.02 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 90.9 p -148.01 135.9 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.51 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 t -151.7 137.04 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -77.3 91.55 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.95 119.75 1.13 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.5 p -88.62 157.56 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 110.943 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' GLY . 23.0 t -95.73 52.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 38.22 88.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -162.85 -178.55 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -88.1 -60.48 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -98.62 173.05 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 28' ' ' THR . 5.1 m -87.5 20.97 2.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 6.0 mp -79.15 -25.37 42.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.1 mm? -75.47 -38.48 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' HIS . 2.4 tmm_? -76.77 -70.44 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' GLU . 1.9 t-80 -35.17 -64.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 29' ' ' LEU . 20.0 mm-40 -35.46 -62.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.71 54.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.424 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.543 HD11 ' CD2' ' A' ' 82' ' ' TYR . 79.5 mt -111.69 122.88 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.17 118.96 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.1 p -114.81 146.98 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OH ' ' A' ' 40' ' ' TYR . 12.2 m -91.51 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -98.31 -31.83 11.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 38' ' ' VAL . 24.0 p90 -76.11 174.45 10.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.58 138.76 36.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.8 p -139.57 129.51 24.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -42.27 -34.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.4 m -89.66 153.26 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 mt -142.75 160.06 41.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.2 p -122.52 118.56 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.63 116.29 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.25 158.26 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.595 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 1.7 m-20 53.68 26.42 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.28 -127.24 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.04 157.05 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.467 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.9 mt -44.48 -51.05 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.24 -34.33 0.94 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.7 m-20 -89.72 33.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.14 35.85 27.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 54' ' ' ASN . 76.5 t -112.31 105.57 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 0.0 111.067 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -76.1 161.69 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.594 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.8 ttp85 -65.93 -42.1 90.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 25.1 t-20 -73.34 -3.94 30.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -108.18 -19.43 13.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 56' ' ' VAL . 17.2 tp -105.02 -39.38 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.1 tp -56.76 -42.69 97.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -47.97 -37.46 29.64 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.6 HG12 HD22 ' A' ' 100' ' ' LEU . 47.2 t -78.36 -27.66 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 100' ' ' LEU . 54.9 mt -80.85 -18.58 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.4 -46.52 9.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -53.41 -30.92 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -85.79 -59.38 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.39 176.14 23.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.78 119.99 21.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.5 t -89.19 105.08 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.98 -42.93 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.89 123.96 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.594 HD23 ' HG3' ' A' ' 58' ' ' ARG . 12.7 tp -107.91 105.99 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 125' ' ' TRP . 16.7 tp -87.43 122.5 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 71.6 mtp -125.07 97.42 37.96 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.599 0.714 . . . . 0.0 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.9 Cg_endo -69.82 137.69 35.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 143.92 52.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.603 2.202 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 54.77 41.41 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -138.47 122.69 11.59 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.529 0.68 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.32 13.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD2' HD11 ' A' ' 35' ' ' ILE . 34.9 p90 -122.35 158.53 29.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.2 m -143.64 178.71 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.411 ' CG ' HG11 ' A' ' 123' ' ' VAL . 43.4 m-85 -138.05 136.1 36.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.31 151.99 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 9.3 ttt180 -129.92 112.69 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -81.53 179.27 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -92.41 -31.33 15.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -136.32 135.86 39.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' GLU . 2.3 m -43.79 -56.95 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' THR . 26.2 mm-40 -37.45 -51.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -55.6 -59.82 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -41.82 -55.83 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 98' ' ' VAL . 5.0 mtpm? -53.95 -49.09 69.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -49.74 -42.96 47.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.771 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.2 -37.63 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.1 t80 -61.45 -37.17 82.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 94' ' ' LYS . 4.6 t -90.05 -20.37 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.8 m -96.58 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.771 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 37.6 mt -54.92 -48.77 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 43.3 t-20 -51.55 124.45 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.07 55.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.54 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -73.21 156.36 38.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -103.28 135.88 44.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -132.27 136.69 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.45 107.61 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.21 177.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -53.94 -46.0 71.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.54 -28.59 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.01 5.8 28.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.573 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -99.78 144.25 29.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -77.73 134.08 38.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.1 mt -126.94 147.92 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.2 m -98.19 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 49' ' ' ASN . 13.2 mt -95.46 133.32 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -105.29 120.99 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -96.19 127.81 42.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.482 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 27.0 m-80 -119.61 146.4 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 37.4 m-85 -73.21 129.44 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.9 m -125.95 131.41 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -81.14 -34.48 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -138.9 159.35 42.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 124' ' ' GLN . 81.4 t -155.32 153.28 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.421 ' N ' HG12 ' A' ' 123' ' ' VAL . 5.3 pt20 -80.82 59.08 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 98.4 m95 -48.5 -58.41 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.4 t -173.36 111.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.23 163.75 31.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -4.7 14.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t 72.39 36.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -85.87 170.88 11.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.2 m -89.26 174.11 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -133.53 -44.15 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.75 63.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -46.89 111.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.4 m -144.0 169.65 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.01 -164.56 15.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' HIS . . . -93.8 25.55 3.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER 35.41 31.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' ALA . 3.4 t60 -44.09 -69.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m 49.16 24.97 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 29' ' ' LEU . 6.5 tt -109.35 -33.11 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mt -77.81 -25.12 48.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -45.88 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.62 ' CD2' ' C ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -57.67 -25.7 60.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' CD ' ' HE2' ' A' ' 32' ' ' HIS . 25.9 mm-40 -80.85 -44.35 18.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.813 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.04 52.51 0.78 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 82' ' ' TYR . 88.2 mt -109.29 129.08 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -100.81 113.28 26.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.418 HG22 HG12 ' A' ' 120' ' ' VAL . 22.3 p -112.3 146.16 38.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.29 -178.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 t -99.77 -48.74 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -60.8 155.6 19.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.7 145.1 46.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -149.32 126.29 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -41.55 -29.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 120' ' ' VAL . 4.2 m -91.05 144.4 25.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 119' ' ' PHE . 54.0 mt -140.86 145.49 36.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 46' ' ' VAL . 10.7 p -108.16 117.44 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.82 116.37 26.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.82 158.59 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' C ' ' ND2' ' A' ' 54' ' ' ASN . 96.6 m-20 53.64 26.56 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -125.92 -127.99 3.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 158.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 21.7 mt -44.78 -51.99 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.01 -33.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 49' ' ' ASN . 2.6 m-20 -89.34 32.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.55 27.13 17.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 61' ' ' LEU . 35.5 t -104.03 104.61 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -79.88 158.0 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.96 -40.62 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 11.2 t-20 -74.1 -6.3 46.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -108.18 -15.74 14.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 56' ' ' VAL . 14.7 tp -107.39 -39.66 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -56.92 -42.65 97.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.3 Cg_exo -48.02 -35.63 25.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.809 HG13 ' HE2' ' A' ' 67' ' ' LYS . 45.6 t -80.8 -31.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 100' ' ' LEU . 21.2 mt -79.73 -12.53 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.56 -43.28 11.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.809 ' HE2' HG13 ' A' ' 64' ' ' VAL . 3.6 pttm -62.85 -34.97 78.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 2.2 m -74.88 -45.85 40.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -163.57 -177.74 36.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 mt -75.93 123.17 25.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 62' ' ' LEU . 97.6 t -91.4 104.58 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.96 -51.14 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.08 121.91 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 tp -107.86 100.99 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.493 HD23 ' HD2' ' A' ' 84' ' ' PHE . 26.7 tp -81.3 121.93 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 64.0 mtp -124.51 95.91 42.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 54.4 Cg_endo -69.75 138.48 37.95 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 54.22 37.56 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 22.5 mmtp -135.34 121.4 14.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.8 Cg_endo -69.7 -5.0 15.12 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 35.3 p90 -120.54 155.04 34.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -142.24 169.91 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' HD2' HD23 ' A' ' 75' ' ' LEU . 26.4 m-85 -128.07 122.97 33.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.64 138.82 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.52 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 7.4 ttt180 -117.03 123.0 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 45.0 m-85 -93.96 -177.53 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -96.97 -34.2 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 65.0 p -137.17 125.9 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 0.5 OUTLIER -33.56 -56.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' THR . 15.9 mm-40 -35.6 -50.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -61.49 -49.02 78.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 1.5 t -52.28 -53.95 37.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.4 mtmt -54.78 -48.69 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm105 -49.94 -45.53 51.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -72.6 -33.48 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.498 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 25.7 t80 -65.04 -39.52 93.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.989 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.11 -19.31 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.1 m -95.33 -63.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.681 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 27.2 mt -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.1 t-20 -47.67 120.95 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 114' ' ' THR . . . 92.41 -27.33 10.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.96 156.41 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.74 0.305 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -105.04 138.92 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 115' ' ' LEU . 14.9 m -136.64 138.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 ' HA2' ' A' ' 110' ' ' GLY . 43.2 t -77.0 113.12 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.07 -178.56 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -54.15 -41.85 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.2 -27.95 69.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.461 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 106.38 7.05 35.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -99.87 138.22 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -74.65 129.13 37.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.6 mt -123.85 144.38 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' GLY . 6.9 m -90.45 109.3 20.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.639 HD11 HG21 ' A' ' 105' ' ' VAL . 10.9 mt -96.05 135.27 38.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.5 120.37 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 100' ' ' LEU . 8.4 mp -98.16 128.48 44.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 3.9 m120 -119.51 139.83 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.498 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.2 m-85 -66.34 124.05 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' SER . 35.4 m -126.6 144.97 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -108.04 -31.75 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -118.16 127.58 53.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 55.8 t -145.14 130.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.88 73.41 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 96.8 m95 -62.45 -55.54 26.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 t -174.67 112.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.38 143.79 4.72 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.02 39.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.2 p -77.33 136.43 38.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.3 m -116.98 153.29 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -79.83 99.01 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.375 . . . . 0.0 110.801 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -46.71 108.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.52 175.77 14.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -107.75 176.37 5.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.411 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.4 p -69.86 155.49 40.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.9 -133.65 10.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.8 174.73 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -42.88 89.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.574 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -89.09 122.32 32.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' ARG . 11.8 p -59.65 -19.14 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' THR . 2.8 mp -34.37 -43.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.3 mm? -79.45 -41.01 28.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.6 OUTLIER -53.65 -44.9 69.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -54.75 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -46.59 -43.35 17.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.41 42.06 2.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.433 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -97.11 123.27 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.8 127.57 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.572 HG21 ' HB3' ' A' ' 118' ' ' ASN . 41.7 p -121.39 138.4 54.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 40' ' ' TYR . 31.1 m -79.82 174.26 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -95.41 -44.35 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 38' ' ' VAL . 23.2 p90 -62.68 166.95 4.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -71.17 143.1 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 p -139.64 146.38 39.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -62.56 -27.95 69.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.615 ' HB2' HG23 ' A' ' 120' ' ' VAL . 7.9 m -96.01 154.15 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' HE1' ' A' ' 87' ' ' TYR . 66.1 mt -144.49 140.95 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.5 p -105.22 118.03 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 t -84.47 113.88 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.36 166.6 14.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 46.71 26.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.55 -128.62 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.47 154.55 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -43.07 -53.63 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.34 -33.33 0.3 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 t-20 -90.94 35.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.69 35.34 23.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 54' ' ' ASN . 68.2 t -111.54 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.4 t -82.65 156.37 23.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -62.52 -39.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -71.89 -7.56 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -108.1 -21.37 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 18.0 tp -98.86 -40.83 7.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.637 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -56.73 -42.77 98.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.1 Cg_exo -48.06 -39.66 33.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.296 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 100' ' ' LEU . 35.0 t -77.75 -29.4 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 100' ' ' LEU . 16.4 mt -81.22 -19.57 42.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 32.7 mt-10 -83.76 -45.01 13.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -54.01 -33.17 56.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.613 ' SG ' HD21 ' A' ' 100' ' ' LEU . 34.2 m -80.89 -61.03 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.03 -175.72 16.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.81 126.86 32.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.6 t -94.93 107.01 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 1.1 p30 -79.16 -48.11 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -148.09 124.85 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tp -117.18 107.99 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 84' ' ' PHE . 20.0 tp -88.84 123.09 32.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.0 mtp -124.73 95.25 42.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.559 0.695 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 133.57 25.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.244 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.53 42.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.265 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 63.49 33.41 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 67.0 mmtt -134.02 122.32 16.25 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 52.7 Cg_endo -69.87 -1.58 8.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 24.7 p90 -125.84 151.01 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.948 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 m -137.1 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD2' HD23 ' A' ' 75' ' ' LEU . 52.9 m-85 -132.06 129.56 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.97 144.48 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -122.96 118.09 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.555 ' HE1' HD12 ' A' ' 45' ' ' LEU . 61.1 m-85 -90.3 167.42 12.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -78.5 -40.47 35.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 47.3 p -127.83 147.08 50.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.8 m -52.02 -57.31 9.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.204 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' THR . 28.4 mt-10 -35.92 -58.52 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -48.01 -60.56 2.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 t -40.09 -58.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.801 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 37.8 mtpt -52.14 -51.15 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -48.46 -45.68 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.654 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 24.5 t80 -67.15 -37.92 84.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.3 -21.67 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.9 m -92.96 -63.91 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 64' ' ' VAL . 28.2 mt -55.21 -53.16 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 46.0 t-20 -48.89 122.23 5.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 114' ' ' THR . . . 93.16 -24.27 25.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -69.02 154.22 42.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -100.12 140.65 34.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 115' ' ' LEU . 6.3 m -137.54 139.72 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.9 108.14 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.652 ' OD2' HD12 ' A' ' 113' ' ' ILE . 10.1 m-20 -72.56 176.03 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -52.48 -32.53 40.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.36 -29.42 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.62 12.3 30.85 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -111.91 141.41 45.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -74.6 123.29 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.652 HD12 ' OD2' ' A' ' 107' ' ' ASP . 8.4 mt -120.71 140.32 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 102' ' ' GLY . 13.1 m -90.41 104.41 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 105' ' ' VAL . 12.9 mt -88.1 149.09 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.442 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 44.6 m-85 -120.65 118.26 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.93 128.44 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.572 ' HB3' HG21 ' A' ' 37' ' ' THR . 5.5 m120 -119.29 142.96 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.654 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 25.2 m-85 -69.9 116.16 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.615 HG23 ' HB2' ' A' ' 44' ' ' SER . 29.6 m -117.25 150.24 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.47 -37.18 4.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -113.37 121.33 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.417 HG11 ' CB ' ' A' ' 84' ' ' PHE . 90.4 t -140.51 128.49 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.26 79.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.44 ' CZ3' ' HB2' ' A' ' 75' ' ' LEU . 95.2 m95 -72.83 139.07 46.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.3 m -75.02 105.11 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.38 151.75 7.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 108.97 2.19 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.7 m -132.11 156.21 46.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.7 m -67.76 85.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -84.77 96.71 9.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.823 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 t -48.05 -51.29 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.57 62.12 0.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.6 p -109.21 111.73 23.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -171.1 143.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -138.23 53.62 0.71 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.98 -175.74 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -96.74 -33.27 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.553 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 1.6 p80 -113.01 161.01 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.818 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -94.14 31.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 tp -86.33 -24.48 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.6 mm? -81.71 -46.82 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -54.85 -58.33 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.06 -53.73 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE1' ' CD2' ' A' ' 82' ' ' TYR . 84.9 mt-10 -49.95 -52.28 34.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.16 48.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.546 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 82' ' ' TYR . 65.7 mt -106.42 130.63 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -99.25 115.89 30.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.669 HG22 HG12 ' A' ' 120' ' ' VAL . 43.9 p -122.03 132.64 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG13 ' HG2' ' A' ' 121' ' ' GLU . 33.8 m -82.22 177.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 t -95.4 -41.63 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -72.28 158.09 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -55.83 151.36 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 p -149.65 136.82 19.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.188 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -45.82 -44.01 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.58 156.2 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.702 HD11 ' OG ' ' A' ' 93' ' ' SER . 39.9 mt -146.96 142.0 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 46' ' ' VAL . 7.1 p -105.15 120.54 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.43 107.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.742 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -81.9 167.84 18.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 68.7 m-20 47.8 25.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -128.31 -129.19 3.17 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.452 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.96 152.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.6 mt -42.12 -50.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.57 -35.75 1.43 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.512 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 50' ' ' GLY . 2.9 m-20 -85.4 28.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.81 24.66 34.19 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.557 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.7 t -100.99 105.98 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -76.45 159.55 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.99 -39.31 93.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 8.6 m120 -73.87 -4.02 32.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -108.42 -16.19 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.9 tp -109.18 -40.46 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 11.1 tp -55.11 -43.2 98.94 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.605 0.717 . . . . 0.0 110.996 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.6 Cg_exo -47.98 -36.66 28.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.333 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.57 HG12 HD22 ' A' ' 100' ' ' LEU . 26.1 t -81.7 -23.79 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.19 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 62' ' ' LEU . 14.7 mt -85.43 -13.15 50.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -92.06 -42.33 10.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -34.45 74.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 100' ' ' LEU . 4.0 m -79.08 -52.36 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.72 -169.81 16.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.2 mt -89.08 126.77 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.53 105.79 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.29 -49.46 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.08 124.11 10.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 tp -115.64 105.7 13.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.687 HD22 ' HA ' ' A' ' 125' ' ' TRP . 22.2 tp -86.93 123.54 32.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.6 mtp -124.37 96.96 40.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.474 0.654 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.65 26.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 140.34 42.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.745 2.297 . . . . 0.0 112.271 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 61.7 38.55 15.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 82' ' ' TYR . 53.9 mmtt -137.63 122.62 12.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 1.45 4.41 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.622 2.215 . . . . 0.0 112.339 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE2' ' HD2' ' A' ' 80' ' ' LYS . 23.6 p90 -131.18 148.53 52.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.6 m -130.44 -179.78 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.423 ' CE1' HG23 ' A' ' 46' ' ' VAL . 77.7 m-85 -137.57 120.8 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.42 146.83 32.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.2 ttp180 -122.15 103.54 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 93' ' ' SER . 44.1 m-85 -77.26 153.34 34.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.511 ' HD3' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -64.68 -41.75 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.511 HG22 ' HD3' ' A' ' 88' ' ' ARG . 2.9 p -130.08 146.94 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -53.03 -51.0 63.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.59 -50.79 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.82 -55.23 37.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.702 ' OG ' HD11 ' A' ' 45' ' ' LEU . 4.1 t -44.8 -56.36 4.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 18.0 mtpp -52.9 -49.99 64.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -47.65 -42.96 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.66 -39.93 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.459 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 20.9 t80 -58.2 -35.85 72.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.5 t -90.18 -22.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.5 m -95.24 -64.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.796 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 16.4 mt -53.66 -48.41 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 39.2 t-20 -51.59 123.09 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.83 -17.48 45.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.441 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 49.4 tttm -66.98 155.93 37.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 6.5 mp0 -104.88 147.86 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.3 m -149.05 147.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HA2' ' A' ' 110' ' ' GLY . 44.1 t -86.44 115.15 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.94 -177.38 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -55.07 -45.69 75.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.4 mt -60.18 -29.93 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.414 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 107.26 11.88 24.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -96.68 144.76 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -79.75 101.65 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.63 152.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.4 m -105.83 101.17 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 mt -87.1 134.47 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.742 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 86.5 m-85 -104.56 165.33 11.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.9 mp -139.44 126.15 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 11.0 m-20 -120.28 135.25 55.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.459 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -65.23 124.77 23.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.669 HG12 HG22 ' A' ' 37' ' ' THR . 24.5 m -123.96 126.19 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.419 ' HG2' HG13 ' A' ' 38' ' ' VAL . 6.5 pt-20 -73.89 -41.6 61.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -132.76 149.87 52.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 124' ' ' GLN . 77.4 t -136.74 153.83 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -79.51 45.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.687 ' HA ' HD22 ' A' ' 75' ' ' LEU . 91.3 m95 -38.95 141.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 63.1 p -77.65 98.66 5.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.48 154.28 36.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.07 9.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.5 m -50.07 148.84 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t -85.57 151.22 24.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -109.55 102.96 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -55.02 -44.66 74.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.07 160.5 9.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -147.12 107.89 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.7 m -119.03 143.44 47.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 -167.82 20.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.41 177.87 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -57.68 -13.94 4.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.591 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -120.05 160.27 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -101.12 32.24 3.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.31 -29.37 21.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -66.23 -41.0 90.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -64.42 -38.24 90.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -67.31 -44.68 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.18 -39.67 95.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.77 59.28 1.07 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt -117.88 128.32 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.31 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -102.25 130.39 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 118' ' ' ASN . 42.9 p -129.76 148.86 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 42' ' ' THR . 28.7 m -98.91 174.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -91.73 -49.59 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -61.6 159.12 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB2' ' HD3' ' A' ' 94' ' ' LYS . . . -59.34 143.33 49.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.485 HG21 ' CG2' ' A' ' 38' ' ' VAL . 77.4 p -141.94 123.82 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -41.49 -31.49 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.465 ' CB ' HG23 ' A' ' 120' ' ' VAL . 20.9 m -94.51 142.05 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.826 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' OG ' ' A' ' 93' ' ' SER . 47.5 mt -134.46 145.82 49.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.7 p -112.28 119.75 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.03 112.11 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -87.15 163.27 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' OD1' ' CE1' ' A' ' 27' ' ' HIS . 69.2 m-20 51.31 25.34 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' ASN . . . -126.22 -127.77 3.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.34 157.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 55' ' ' GLY . 23.7 mt -45.38 -51.62 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.43 -32.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.5 m120 -89.9 34.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 50.19 17.28 1.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.0 t -97.55 102.43 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -76.67 169.24 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.604 ' HG3' HD23 ' A' ' 74' ' ' LEU . 39.9 ttp180 -68.74 -39.42 80.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 6.9 t30 -72.73 -5.01 34.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -108.16 -22.23 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.513 HD13 HG11 ' A' ' 56' ' ' VAL . 16.2 tp -100.27 -41.54 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.9 tp -54.64 -43.72 98.49 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.624 0.726 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.0 Cg_exo -47.94 -34.9 23.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 100' ' ' LEU . 13.5 t -87.45 -20.51 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 100' ' ' LEU . 95.9 mt -87.65 -12.47 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 49.4 mt-10 -88.96 -48.81 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 -44.91 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -61.87 -58.52 7.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.93 -158.5 8.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.1 mt -85.85 125.65 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.473 HG21 HD12 ' A' ' 62' ' ' LEU . 84.7 t -88.5 103.96 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -70.04 -53.21 18.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.69 130.12 12.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' ARG . 24.4 tp -114.48 97.47 6.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 125' ' ' TRP . 18.6 tp -80.5 123.42 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtp -127.44 95.68 35.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.11 34.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.2 53.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.7 m120 56.19 38.78 30.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -136.91 121.36 12.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' GLY . 53.3 Cg_endo -69.8 -4.62 14.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -123.68 146.18 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -130.17 -179.8 5.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.788 ' CG ' HG11 ' A' ' 123' ' ' VAL . 44.8 m-85 -139.81 126.86 20.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.49 156.69 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -133.59 114.81 13.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 50.3 m-85 -84.03 175.48 9.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -87.14 -34.33 19.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -138.58 132.71 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -38.03 -57.57 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' THR . 53.6 mt-10 -32.66 -61.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -51.66 -62.38 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.673 ' OG ' HD11 ' A' ' 45' ' ' LEU . 11.8 t -38.76 -52.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 41' ' ' ALA . 7.4 mtmp? -57.08 -48.82 77.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -49.56 -41.53 41.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.601 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -76.7 -35.37 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.626 ' CD2' ' CZ ' ' A' ' 119' ' ' PHE . 13.0 t80 -63.1 -36.92 85.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.02 -19.46 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.9 m -95.35 -63.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 64' ' ' VAL . 15.1 mt -56.23 -52.58 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -46.59 124.31 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.36 -27.96 6.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 30.6 tttt -57.07 163.09 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 41.2 mt-10 -113.57 126.95 55.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 115' ' ' LEU . 17.6 m -123.12 141.08 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 110' ' ' GLY . 18.2 t -82.04 113.27 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.53 169.98 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -49.13 -33.46 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.95 -30.06 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . 103.49 25.92 7.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -118.03 140.87 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -73.5 114.72 12.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.1 mt -108.95 145.24 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.081 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 m -99.31 105.82 17.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 105' ' ' VAL . 16.4 mt -93.82 140.17 29.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 43.0 m-85 -115.89 121.6 42.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.7 128.98 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 37' ' ' THR . 4.6 m120 -119.61 138.02 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.626 ' CZ ' ' CD2' ' A' ' 97' ' ' TYR . 26.2 m-85 -68.89 107.07 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.465 HG23 ' CB ' ' A' ' 44' ' ' SER . 11.2 m -104.43 128.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.6 -40.65 66.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 0.2 OUTLIER -135.61 161.4 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.788 HG11 ' CG ' ' A' ' 84' ' ' PHE . 97.2 t -159.01 135.22 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -59.81 77.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' ' 123' ' ' VAL . 98.9 m95 -72.77 151.29 42.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.2 m -86.82 162.71 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -173.21 150.29 12.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -1.31 8.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.341 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 38.0 t -139.58 151.0 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.0 m -94.34 91.56 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -152.06 140.27 20.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.6 p -141.17 173.81 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.3 125.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -121.95 -61.18 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -132.34 101.96 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.72 -164.25 23.34 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.99 161.36 6.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.354 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -44.84 -45.71 10.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' HE1' ' HB1' ' A' ' 48' ' ' ALA . 1.7 p80 -104.0 152.41 22.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 28' ' ' THR . 5.6 m -85.91 32.62 0.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tt -87.38 -33.95 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.2 mm? -61.8 -42.03 98.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' GLU . 7.4 tpm_? -41.55 -65.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' ARG . 26.2 m80 -36.71 -29.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.2 mp0 -92.15 -46.69 7.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 47.03 2.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.412 HD11 ' CD2' ' A' ' 82' ' ' TYR . 82.4 mt -96.98 132.53 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -105.26 119.64 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 118' ' ' ASN . 29.2 p -116.07 134.75 54.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' ' 42' ' ' THR . 17.0 m -78.08 -176.03 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -103.89 -45.07 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -68.91 157.29 36.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.51 134.45 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.543 HG21 HG21 ' A' ' 38' ' ' VAL . 52.3 p -134.53 128.59 33.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -42.39 -31.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -91.78 141.68 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.513 HD11 ' OG ' ' A' ' 93' ' ' SER . 40.4 mt -136.05 152.44 50.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.0 p -117.85 123.19 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.78 117.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -94.08 152.83 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.21 24.97 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -127.98 -127.56 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.9 152.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 mt -41.83 -49.94 4.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.02 -36.26 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 50' ' ' GLY . 5.9 t-20 -88.45 32.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 54.58 29.44 48.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.15 115.76 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 111.091 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.0 p -86.49 158.78 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -61.33 -42.11 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 2.0 t-20 -74.35 -3.69 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -108.19 -16.41 14.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 24.1 tp -109.26 -38.4 5.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.7 tp -57.45 -42.44 95.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 66.9 Cg_exo -47.99 -42.71 31.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 100' ' ' LEU . 48.7 t -72.82 -24.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 62' ' ' LEU . 21.8 mt -85.65 -20.48 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 62' ' ' LEU . 93.8 mt-10 -86.19 -43.88 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -53.04 -36.48 60.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -74.39 -63.26 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.93 -152.53 5.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.502 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.5 mt -97.29 125.6 41.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.5 t -94.94 106.79 18.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.42 -47.28 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.795 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.58 135.74 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.4 tp -120.44 100.88 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.591 HD23 ' HD2' ' A' ' 84' ' ' PHE . 16.5 tp -84.63 120.23 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 74.7 mtp -122.68 96.15 45.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.5 Cg_endo -69.8 136.16 32.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.802 2.335 . . . . 0.0 112.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.92 46.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 59.5 37.38 22.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -136.57 121.92 13.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.33 9.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' ILE . 28.3 p90 -124.84 154.16 41.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.3 m -137.93 -179.9 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.591 ' HD2' HD23 ' A' ' 75' ' ' LEU . 58.1 m-85 -136.95 128.52 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.38 153.25 31.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -128.89 111.09 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.497 ' CE1' HD12 ' A' ' 45' ' ' LEU . 45.8 m-85 -86.42 146.67 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' CD ' HG23 ' A' ' 89' ' ' THR . 0.0 OUTLIER -59.34 -34.98 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.451 HG23 ' CD ' ' A' ' 88' ' ' ARG . 17.3 p -143.37 129.25 19.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.597 HG22 ' HE2' ' A' ' 94' ' ' LYS . 1.0 OUTLIER -34.23 -55.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' THR . 62.1 mm-40 -34.55 -55.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.83 -45.09 90.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.513 ' OG ' HD11 ' A' ' 45' ' ' LEU . 1.7 t -55.24 -52.83 62.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.597 ' HE2' HG22 ' A' ' 90' ' ' THR . 18.1 mtmt -55.34 -46.19 76.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -52.43 -43.48 64.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.66 -35.08 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 22.2 t80 -62.96 -36.18 82.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' LYS . 8.2 t -90.2 -18.56 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.5 m -97.03 -63.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 64' ' ' VAL . 15.5 mt -55.99 -51.45 67.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 30.8 t-20 -42.21 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 105.43 21.85 8.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 100' ' ' LEU . 9.1 ttpp -89.95 163.26 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -110.37 128.52 55.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.485 HG21 HD11 ' A' ' 115' ' ' LEU . 5.2 m -138.96 132.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.25 109.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.28 179.36 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.74 -41.82 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.65 -30.53 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.7 14.95 14.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.535 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -112.29 134.67 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.95 111.21 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 114' ' ' THR . 9.2 mt -100.45 161.22 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 113' ' ' ILE . 2.2 m -103.88 105.64 15.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 105' ' ' VAL . 22.4 mt -93.11 128.68 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.831 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 3.1 m-85 -98.68 167.34 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 116' ' ' TYR . 6.8 mp -143.4 127.77 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.489 ' CB ' HG21 ' A' ' 37' ' ' THR . 5.8 m-80 -122.34 147.25 46.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 28.6 m-85 -76.43 113.99 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.3 m -115.69 151.94 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.18 -33.06 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -112.09 126.22 54.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.51 137.42 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.17 72.69 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.14 162.97 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.1 m -84.27 126.35 33.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.76 -178.33 4.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -9.36 25.92 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.379 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 m 63.32 48.88 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.8 m -162.16 106.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.563 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.9 t -45.74 117.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.55 137.03 38.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.8 -140.79 8.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -89.72 160.15 16.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.829 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p -69.98 173.92 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.6 -54.67 21.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.38 -176.88 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -68.98 -47.27 65.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.936 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.582 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -89.82 151.09 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 28' ' ' THR . 12.8 m -96.91 27.6 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 29' ' ' LEU . 7.5 tt -79.81 -29.36 40.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 35' ' ' ILE . 2.8 mm? -68.59 -45.57 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -49.74 -61.12 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -43.66 -31.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.01 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.78 50.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.949 HD11 ' CD2' ' A' ' 82' ' ' TYR . 78.6 mt -108.82 133.17 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.38 127.91 54.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.42 HG21 ' HB3' ' A' ' 118' ' ' ASN . 16.4 p -126.4 137.12 53.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' A' ' 40' ' ' TYR . 17.5 m -80.96 -176.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -103.0 -44.62 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 41' ' ' ALA . 13.9 p90 -63.06 170.3 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.544 ' O ' ' CD2' ' A' ' 40' ' ' TYR . . . -74.5 138.3 43.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 40' ' ' TYR . 40.4 p -135.12 137.83 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -55.18 -22.51 17.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.6 m -102.63 151.16 22.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD12 ' HE1' ' A' ' 87' ' ' TYR . 78.5 mt -139.86 150.32 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.3 p -111.38 116.99 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.32 109.99 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.58 162.06 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 51.87 25.05 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -127.24 -130.41 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.82 152.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.8 mt -40.81 -51.98 3.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.94 -37.33 0.97 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -86.41 33.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 49.88 36.04 25.91 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.93 110.29 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -80.88 155.6 26.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 74' ' ' LEU . 56.3 ttt180 -62.75 -38.58 91.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 72.2 m-20 -72.7 -5.9 40.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -108.24 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 15.1 tp -102.13 -40.81 6.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 9.3 tp -55.85 -43.07 99.03 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 64.2 Cg_exo -47.9 -34.28 21.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.714 HG12 HD22 ' A' ' 100' ' ' LEU . 39.9 t -82.01 -27.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD23 ' CD1' ' A' ' 100' ' ' LEU . 17.7 mt -81.38 -20.52 40.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -82.32 -33.37 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 68' ' ' CYS . 17.6 ptpt -67.89 -38.98 83.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' HD21 ' A' ' 100' ' ' LEU . 15.1 m -72.84 -49.64 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.74 -167.3 18.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -83.94 135.06 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.34 97.94 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.21 -50.64 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.17 127.72 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.703 HD23 ' HG3' ' A' ' 58' ' ' ARG . 14.8 tp -114.7 109.38 18.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.9 tp -88.99 128.26 35.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.3 mtp -130.16 95.27 28.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 131.31 21.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.409 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 139.65 40.77 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 66.67 29.76 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 mmtp -131.54 123.0 19.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.503 0.668 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.94 9.28 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.79 2.327 . . . . 0.0 112.369 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.949 ' CD2' HD11 ' A' ' 35' ' ' ILE . 20.6 p90 -126.29 151.07 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.3 m -135.49 172.71 12.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.433 ' CB ' HG11 ' A' ' 123' ' ' VAL . 38.4 m-85 -132.18 128.36 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.06 151.81 31.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.554 ' HD3' ' CZ2' ' A' ' 125' ' ' TRP . 7.0 ttp85 -125.75 113.32 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.704 ' HE1' HD12 ' A' ' 45' ' ' LEU . 59.0 m-85 -84.59 178.26 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -92.89 -36.43 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.2 p -135.74 134.59 39.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.9 m -40.65 -59.02 1.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' THR . 37.9 mt-10 -33.37 -51.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.48 -60.59 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.5 t -40.77 -51.34 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 30.3 mtpt -58.91 -47.26 85.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -52.84 -44.09 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.67 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -74.56 -32.74 62.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 30.2 t80 -64.42 -37.43 87.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.71 -24.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.8 m -90.18 -64.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 64' ' ' VAL . 37.5 mt -54.78 -53.84 49.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 47.6 t-20 -45.77 123.34 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 114' ' ' THR . . . 89.0 -27.95 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 104' ' ' GLU . 28.5 tttt -59.27 152.69 20.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.716 0.293 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.3 mt-10 -101.58 130.49 47.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 115' ' ' LEU . 24.3 m -127.19 133.19 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.0 t -71.94 115.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -75.59 178.62 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.11 -45.05 75.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.91 -29.26 69.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.4 16.43 12.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -105.98 139.1 41.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -79.18 117.84 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.88 144.67 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 102' ' ' GLY . 15.9 m -92.22 105.51 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 105' ' ' VAL . 11.4 mt -90.95 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.96 118.5 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 97' ' ' TYR . 7.1 mp -96.02 127.02 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 4.1 m120 -119.32 136.65 54.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.569 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 36.5 m-85 -63.1 122.91 17.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.95 142.13 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -106.05 -41.22 5.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -99.99 121.41 41.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 125' ' ' TRP . 97.9 t -141.26 123.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -60.19 76.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.554 ' CZ2' ' HD3' ' A' ' 86' ' ' ARG . 97.1 m95 -69.28 123.51 21.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.1 t -76.24 163.22 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 99.95 151.7 26.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.94 34.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.9 t -58.12 147.11 31.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.4 p -93.0 138.82 31.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -133.26 147.48 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -66.1 -59.55 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.31 167.7 20.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -110.7 137.72 48.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -131.66 43.63 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 130.77 10.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -53.01 178.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -63.25 -19.66 64.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.616 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -128.67 155.78 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.37 39.75 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 27' ' ' HIS . 6.8 mp -100.67 -31.1 11.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.692 HD23 ' HB3' ' A' ' 25' ' ' ALA . 2.3 mm? -79.5 -22.7 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -92.82 -39.37 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.518 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.5 t-80 -65.01 -21.88 66.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.27 -25.33 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 15.96 32.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 82' ' ' TYR . 33.9 mt -79.36 114.3 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.28 118.68 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.636 HG22 HG12 ' A' ' 120' ' ' VAL . 30.9 p -114.25 133.74 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.94 -177.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -101.67 -46.23 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -59.72 162.93 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' CB ' ' HD2' ' A' ' 94' ' ' LYS . . . -63.93 141.36 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.4 p -142.76 126.7 17.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -44.7 -34.28 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.8 m -88.96 153.0 21.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD21 ' CE1' ' A' ' 119' ' ' PHE . 38.9 mt -146.36 153.2 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 46' ' ' VAL . 15.0 p -117.82 121.48 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.99 118.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 116' ' ' TYR . . . -92.87 158.1 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 53.94 26.64 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 81' ' ' PRO . . . -129.55 -127.78 2.97 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.63 152.83 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLY . 33.4 mt -43.52 -51.35 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -39.87 -34.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.7 t-20 -89.58 35.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 51.26 24.7 10.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 54' ' ' ASN . 89.4 t -101.97 109.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 t -80.0 161.53 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HG3' HD23 ' A' ' 74' ' ' LEU . 26.4 ttm180 -65.4 -35.87 82.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' PRO . 5.5 m120 -73.85 -6.09 45.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -108.35 -15.93 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.445 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 13.7 tp -107.4 -40.23 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 10.7 tp -56.35 -42.75 97.83 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 62' ' ' LEU . 65.5 Cg_exo -47.92 -39.23 32.08 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 100' ' ' LEU . 43.1 t -76.95 -24.4 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.93 -20.1 27.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 60.8 mt-10 -87.15 -41.86 13.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -58.34 -36.25 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 m -76.76 -62.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.22 -167.02 10.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -87.07 122.88 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.431 HG21 HD12 ' A' ' 62' ' ' LEU . 67.0 t -90.83 101.98 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.3 -46.6 63.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 125.9 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD23 ' HG3' ' A' ' 58' ' ' ARG . 13.9 tp -113.37 103.67 11.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.486 ' HB2' ' CE3' ' A' ' 125' ' ' TRP . 20.8 tp -84.92 124.11 31.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 49.9 mtp -125.74 97.96 35.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 0.0 110.87 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' MET . 53.4 Cg_endo -69.9 135.61 30.55 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.64 2.227 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 141.65 45.28 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 59.37 38.63 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -136.55 123.49 14.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 50' ' ' GLY . 53.6 Cg_endo -69.73 -2.75 10.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' A' ' 35' ' ' ILE . 37.4 p90 -125.47 155.29 40.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 m -138.7 177.84 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -134.57 128.72 33.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.25 143.47 47.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HB2' ' CH2' ' A' ' 125' ' ' TRP . 22.6 ttt180 -125.16 110.25 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -78.61 175.84 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -84.33 -31.21 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.8 p -142.49 142.7 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' GLU . 3.4 m -46.72 -55.57 7.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' THR . 12.9 mt-10 -35.25 -62.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.15 -56.47 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -43.06 -50.25 6.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 41' ' ' ALA . 15.5 mtpp -58.65 -47.73 83.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -51.78 -43.72 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -75.96 -30.08 58.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CD2' ' CE2' ' A' ' 119' ' ' PHE . 27.3 t80 -67.77 -36.49 80.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.34 -23.15 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 34.4 m -90.87 -59.38 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 64' ' ' VAL . 23.5 mt -60.08 -57.32 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' TYR . 40.2 t-20 -37.7 93.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' LEU . . . 108.34 22.32 7.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 100' ' ' LEU . 5.9 ttpp -91.06 152.48 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -102.74 120.44 40.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 115' ' ' LEU . 30.8 m -131.68 136.77 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.15 112.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.625 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -76.91 175.78 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -53.26 -28.81 29.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.0 mt -70.33 -26.34 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.31 10.3 42.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.47 136.05 47.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -70.81 98.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' CG ' ' A' ' 107' ' ' ASP . 2.8 mt -91.43 152.41 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.9 m -101.73 108.46 19.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 105' ' ' VAL . 16.2 mt -94.89 136.69 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.699 ' C ' HD12 ' A' ' 117' ' ' LEU . 8.4 m-85 -107.69 169.93 8.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.699 HD12 ' C ' ' A' ' 116' ' ' TYR . 7.2 mp -143.39 126.18 16.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.486 ' HB2' ' CG1' ' A' ' 46' ' ' VAL . 6.0 m120 -119.02 143.25 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.521 ' CE2' ' CD2' ' A' ' 97' ' ' TYR . 20.0 m-85 -71.75 113.74 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 37' ' ' THR . 19.6 m -115.91 148.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.67 -34.55 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -109.09 120.62 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.93 126.81 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -67.15 75.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TRP . . . . . 0.536 ' CH2' ' HB2' ' A' ' 86' ' ' ARG . 99.1 m95 -68.55 155.93 39.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.7 m -116.46 131.96 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.85 179.57 35.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -2.17 9.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.409 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -83.6 139.67 32.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.1 p -114.99 161.87 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.972 . . . . . . . . 0 0 . 1 stop_ save_